基本描述

别名	氧杂茂 \| 一氧二烯五环
英文别名	EC 203-727-3 \| NCI-C56202 \| 5-17-01-00291 (Beilstein Handbook Reference) \| UN2389 \| J-002361 \| Oxacyclopentadiene \| Tox21_200920 \| AI3-24244 \| BRN 0103221 \| CHEBI:35559 \| UN 2389 \| FURAN \| furan- \| FURAN [IARC] \| Furan 1000 microg/mL in Methanol \| FT-0626
规格或纯度	化学纯（CP）, ≥98%, stabilized with 0.025% BHT
英文名称	Furan
储存温度	2-8°C储存
运输条件	冰袋运输
产品介绍	久贮或见光易变棕色,易变质。对碱液稳定，遇矿酸或加热蒸发能树脂化。极易溶于乙醇和乙醚，不溶于水。易燃。半数致死量(大鼠，腹腔)5200mg/kg。其蒸气有麻醉性。能从皮肤吸收。有致癌可能性。用作有机合成原料和溶剂。

AI解读

关联靶点（人）

CXCL8 Tchem Interleukin-8 (642 活性数据)

点击查看靶蛋白信息： CXCL8

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 活性数据)

点击查看靶蛋白信息： NR1H4

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 活性数据)

点击查看靶蛋白信息： TDP1

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Ppard Peroxisome proliferator-activated receptor delta (358 活性数据)

点击查看靶蛋白信息： Ppard

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapk1 MAP kinase ERK2 (650 活性数据)

点击查看靶蛋白信息： Mapk1

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

lef Anthrax lethal factor (7585 活性数据)

点击查看靶蛋白信息： lef

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 活性数据)

点击查看靶蛋白信息： Rorc

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

EC号	203-727-3
分子类型	小分子
IUPAC Name	furan
INCHI	InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
InChi Key	YLQBMQCUIZJEEH-UHFFFAOYSA-N
Canonical SMILES	C1=COC=C1
Isomeric SMILES	C1=COC=C1
WGK Germany	3
RTECS	LT8524000
PubChem CID	8029
UN Number	2389
Packing Group	I
分子量	68.07
Beilstein号	103221
Reaxy-Rn	103221

化学和物理性质

溶解性	不溶于水，溶于丙酮、苯，易溶于乙醇、乙醚等多数有机溶剂。
密度	0.94
折光率	1.421
闪点(℉)	-32.8 °F
闪点(℃)	-35 °C
沸点	31.3°C
熔点	-85.6°C
分子量	68.070 g/mol
XLogP3	1.300
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	1
可旋转键计数Rotatable Bond Count	0
精确质量Exact Mass	68.0262 Da
单同位素质量Monoisotopic Mass	68.0262 Da
拓扑极表面积Topological Polar Surface Area	13.100 Å²
重原子数Heavy Atom Count	5
形式电荷Formal Charge	0
复杂度Complexity	22.800
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

一般危化品	一般危化品
象形图	GHS08, GHS07, GHS02
信号词	Danger
危险声明	H315: 引起皮肤刺激 H341: 怀疑引起遗传缺陷 H373: 通过长时间或反复暴露对器官造成损害 H412: 对水生生物有害并具有长期持续影响 H302: 吞食有害 H332: 吸入有害 H224: 极易燃液体和蒸气 H350: 可能导致癌症
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P273: 避免释放到环境中。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。 P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。 P302+P352: 如皮肤沾染：用水充分清洗。 P321: 特殊处理（请参阅此标签上的...）。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P233: 保持容器密闭。 P240: 地面/粘结容器和接收设备 P264: 处理后要彻底洗手。 P403+P235: 存放在通风良好的地方。保持低温。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。 P281: 根据需要使用个人防护设备。 P271: 仅在室外或通风良好的地方使用。 P241: 使用防爆的[电气/通风/照明/.../]设备。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P330: 漱口 P242: 仅使用无火花的工具。 P243: 采取防静电措施 P203: 使用前，获取、阅读并遵守所有安全说明。 P301+P317: 如果被吞咽：请寻求医疗帮助。 P318: 如果暴露或担心，请就医。 P317: 寻求紧急医疗救助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	3
RTECS	LT8524000
Reaxy-Rn	103221
Class	3
Merck Index	4296
个人防护装备	Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US)

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1. Junjian Xie, Jun Zhang, Xiaoyu Wang, Jiawei Xie, Bo Yang, Yuxuan Liang, Ji-Jun Zou, Qiuyu Zhang. (2024) Synthesis of JP-10 analogues high-density fuels via one-pot Diels-Alder/hydrodeoxygenation reaction. FUEL, 361 (130738). [10.1016/j.fuel.2023.130738]
2. Xinjing Li, Yishun Yao, Xue Xia, Foxin Zhang, Jingyang Yu, Heping Cui, Yunwei Niu, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho. (2023) Maillard Reaction Process and Characteristic Volatile Compounds Formed During Secondary Thermal Degradation Monitored via the Change of Fluorescent Compounds in the Reaction of Xylose–Corn Protein Hydrolysate. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:38115213] [10.1021/acs.jafc.3c08082]
3. Lei Chen, Weiyu Luo, Yima He, Lizhen Huang, Jinjie Xu, Kaixin Li, Yonggang Min. (2023) High-Performance Polyimide Films Derived from Biomass-Based Furfural: Fabrication and Properties. Coatings, 13 (10): (1726). [PMID:28191891] [10.3390/coatings13101726]
4. Jiang Wei, Jia Jia, Tong Liao. (2023) Highly selective adsorption of dyes by functional hypercrosslinked-polymers prepared in a facile and chemically stable manner. Journal of Environmental Chemical Engineering, 11 (110555). [10.1016/j.jece.2023.110555]
5. Yinze Zuo, Liang Chen, Yu Wang, Yunxia Guo, Xingling Shi, Yanmin Gao. (2017) Effects of Pyridine and Furan Pretreatment on the Corrosion Resistance of Rust Coating on Mild Steel. International Journal of Electrochemical Science, 12 (9418). [10.20964/2017.10.03]
6. Dayang Zheng, Jiali Zou, Hao Xu, Min Wu, Yayi Wang, Cang Feng, Eryang Zheng, Teng Wang, Yuxiang Shi, Yongjian Chen, Binyang Li. (2023) Efficiency and mechanism of the degradation of ciprofloxacin by the oxidation of peroxymonosulfate under the catalysis of a Fe3O4/N co-doped sludge biochar. CHEMOSPHERE, 325 (138387). [PMID:36914007] [10.1016/j.chemosphere.2023.138387]
7. Li Wanrong, Zhan Qingyan, Yang Po. (2023) Synthesis of poly(maleimide)s with promising performance via Diels–Alder reaction and ring-opening metathesis polymerization. JOURNAL OF POLYMER RESEARCH, 30 (3): (1-9). [10.1007/s10965-023-03503-1]
8. Zhao Xu, Yong-Bo Liu, Dun-Wen Wei, Rui-Ying Bao, Yu Wang, Kai Ke, Wei Yang. (2023) Configurational Entropy Regulation in Polyolefin Elastomer/Paraffin Wax Vitrimers by Thermally Responsive Liquid–Solid Transition for Force Storage. ACS Applied Materials & Interfaces, 15 (9): (12423–12433). [PMID:36821339] [10.1021/acsami.2c22997]
9. Zhao Xu, Sen Meng, Dun-Wen Wei, Rui-Ying Bao, Yu Wang, Kai Ke, Wei Yang. (2023) Hierarchical network relaxation of a dynamic cross-linked polyolefin elastomer for advanced reversible shape memory effect. Nanoscale, 15 (11): (5458-5468). [PMID:36852586] [10.1039/D2NR06902D]
10. Tong Zhou, Xue Xia, Heping Cui, Yun Zhai, Foxin Zhang, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho. (2023) Cysteine-Induced pH-Dependent Formation of Thiols and Sulfides or 2-Acetylthiazole and Pyrazines during Thermal Treatment of N-(1-Deoxy-d-xylulos-1-yl)-alanine. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 71 (5): (2472–2481). [PMID:36696632] [10.1021/acs.jafc.2c08360]
11. Li-Mei Peng, Zhao Xu, Jie Yang, Lu Bai, Rui-Ying Bao, Ming-Bo Yang, Wei Yang. (2023) Patternable thermal conductive interface materials enabled by vitrimeric phase change materials. CHEMICAL ENGINEERING JOURNAL, 455 (140891). [10.1016/j.cej.2022.140891]
12. Wenran Gao, Yiling Wan, Shanhui Zhao, Muhammad Asif Akhtar, Kuan Ding, Bin Li, Yinlong Wu, Shoujun Zhang, Shu Zhang. (2023) Effects of furanic compounds from biomass pyrolysis on ketonization reaction: The role of oxygenated side groups. FUEL, 332 (125975). [10.1016/j.fuel.2022.125975]
13. Chen Xin, Ouyang Yuting, Liu Xiukun, Ruan Hong, Xu Xu, Lu Shaorong, Li Yuqi. (2022) Dynamic covalent-crosslinked furan-modified CaCu3Ti4O12/polyurethane composite-based triboelectric nanogenerator and its application in self-powered cathodic protection. JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 33 (29): (22773-22784). [10.1007/s10854-022-09045-4]
14. Yunlong Yao, Zhiquan Yu, Chenyang Lu, Fanfei Sun, Yao Wang, Zhichao Sun, Yingya Liu, Anjie Wang. (2022) Highly efficient Cu-based catalysts for selective hydrogenation of furfural: A key role of copper carbide. RENEWABLE ENERGY, 197 (69). [10.1016/j.renene.2022.07.062]
15. Tao Chen, Dongxin Pan, Jie Zhu, Menglin Xie, Ting Li, Yu Zhou, Jun Wang. (2022) A metal-/additive-free system for oxygen-mediated hydroxylation of benzene over polyfuran-functionalized hydrothermal carbocatalyst. Molecular Catalysis, 528 (112517). [10.1016/j.mcat.2022.112517]
16. Linhui Feng, Heping Cui, Pusen Chen, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho. (2022) Promoted Formation of Pyrazines and Sulfur-Containing Volatile Compounds through Interaction of Extra-Added Glutathione or Its Constituent Amino Acids and Secondary Products of Thermally Degraded N-(1-Deoxy-d-ribulos-1-yl)-Glutathione. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 70 (29): (9095–9105). [PMID:35838405] [10.1021/acs.jafc.2c02949]
17. Caixing Pan, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho. (2022) Exogenous glutamic acid effectively involved in N-(1-deoxy-D-galulos-1-yl)-glutamic acid degradation for simultaneous improvement of both milk-like and baking flavor. Food Bioscience, 47 (101697). [10.1016/j.fbio.2022.101697]
18. Weizhong Mao, Junhua Liu, Bingqian Yin, Deyu Kong, Shiwen Miao, Fang Wang. (2021) Transfer hydrogenation of furfural catalyzed by multi-centers collaborative Ni-based catalyst and kinetic research. APPLIED CATALYSIS A-GENERAL, 623 (118247). [10.1016/j.apcata.2021.118247]
19. Yanning Zeng, Weiming Yang, Shuxin Liu, Xiahui Shi, Aoqian Xi, Faai Zhang. (2021) Dynamic Semi IPNs with Duple Dynamic Linkers: Self-Healing, Reprocessing, Welding, and Shape Memory Behaviors. Polymers, 13 (11): (1679). [PMID:34064041] [10.3390/polym13111679]
20. Wang Wei-Yu, Zha Xiang-Jun, Bao Rui-Ying, Ke Kai, Liu Zheng-Ying, Yang Ming-Bo, Yang Wei. (2021) Vitrimers of polyolefin elastomer with physically cross-linked network. JOURNAL OF POLYMER RESEARCH, 28 (6): (1-11). [10.1007/s10965-021-02573-3]
21. Yang You, Min Zhi Rong, Ming Qiu Zhang. (2021) Adaptable Reversibly Interlocked Networks from Immiscible Polymers Enhanced by Hierarchy-Induced Multilevel Energy Consumption Mechanisms. MACROMOLECULES, 54 (10): (4802–4815). [10.1021/acs.macromol.1c00289]
22. He Li, Xiangyi Tang, Chunjian Wu, Shujuan Yu. (2021) Maillard reaction in Chinese household-prepared stewed pork balls with brown sauce: potentially risky and volatile products. Food Science and Human Wellness, 10 (221). [10.1016/j.fshw.2021.02.012]
23. Changhong Lin, Huan Ge, Tianle Wang, Min Huang, Puyou Ying, Ping Zhang, Jianbo Wu, Shibin Ren, Vladimir Levchenko. (2020) A self-healing and recyclable polyurethane/halloysite nanocomposite based on thermoreversible Diels-Alder reaction. POLYMER, 206 (122894). [10.1016/j.polymer.2020.122894]
24. Batool Zahra, Li Lin, Xu Dan, Wu Ming, Weng Longmei, Jiao Wenjuan, Cheng Hao, Roobab Umme, Zhang Xia, Li Xiaoxi, Liang Yi, Li Bing. (2020) Determination of furan and its derivatives in preserved dried fruits and roasted nuts marketed in China using an optimized HS-SPME GC/MS method. EUROPEAN FOOD RESEARCH AND TECHNOLOGY, 246 (10): (2065-2077). [10.1007/s00217-020-03556-2]
25. Yang Qian, Ze-Jun Li, Xian-Long Du, Qi Zhang, Yi Zhao, Yong-Mei Liu, Yong Cao. (2020) Total hydrogenation of bio-derived furans over supported Ru subnanoclusters prepared via amino acid-assisted deposition. GREEN CHEMISTRY, 22 (3): (850-859). [10.1039/C9GC02943E]
26. Yang You, Wei Li Peng, Pu Xie, Min Zhi Rong, Ming Qiu Zhang, Dong Liu. (2020) Topological rearrangement-derived homogeneous polymer networks capable of reversibly interlocking: From phantom to reality and beyond. Materials Today, 33 (45). [10.1016/j.mattod.2019.09.005]
27. Changhong Lin, Dekun Sheng, Xiangdong Liu, Shaobin Xu, Fance Ji, Li Dong, Yan Zhou, Yuming Yang. (2019) Effect of different sizes of graphene on Diels-Alder self-healing polyurethane. POLYMER, 182 (121822). [10.1016/j.polymer.2019.121822]
28. Yechang Feng, Limin Man, Yang Hu, Lu Chen, Bingqing Xie, Chaoqun Zhang, Teng Yuan, Zhuohong Yang. (2019) One-pot synthesis of polyurethane-imides with tailored performance from castor and tung oil. PROGRESS IN ORGANIC COATINGS, 132 (62). [10.1016/j.porgcoat.2019.03.035]
29. Jianqiang Zhu, Narcisse T. Tsona, Abdelwahid Mellouki, Lin Du. (2019) Atmospheric initiated oxidation of short chain aliphatic ethers. CHEMICAL PHYSICS LETTERS, 720 (25). [10.1016/j.cplett.2019.01.054]
30. Shanshan Shao, Huiyan Zhang, Rui Xiao, Xiaohua Li, Yixi Cai. (2018) Evolution of coke in the catalytic conversion of biomass-derivates by combined in-situ DRIFTS and ex-situ approach: Effect of functional structure. FUEL PROCESSING TECHNOLOGY, 178 (88). [10.1016/j.fuproc.2018.05.021]
31. Wang Jing-Gang, Liu Xiao-Qing, Zhu Jin. (2018) From Furan to High Quality Bio-based Poly(ethylene furandicarboxylate). CHINESE JOURNAL OF POLYMER SCIENCE, 36 (6): (720-727). [10.1007/s10118-018-2092-0]
32. Lingli Ni, Jiayu Xin, Kun Jiang, Lu Chen, Dongxia Yan, Xingmei Lu, Suojiang Zhang. (2018) One-Step Conversion of Biomass-Derived Furanics into Aromatics by Brønsted Acid Ionic Liquids at Room Temperature. ACS Sustainable Chemistry & Engineering, 6 (2): (2541–2551). [10.1021/acssuschemeng.7b04017]
33. Chengtao Wang, Zhiqiang Liu, Liang Wang, Xue Dong, Jian Zhang, Guoxiong Wang, Shichao Han, Xiangju Meng, Anmin Zheng, Feng-Shou Xiao. (2018) Importance of Zeolite Wettability for Selective Hydrogenation of Furfural over Pd@Zeolite Catalysts. ACS Catalysis, 8 (1): (474–481). [10.1021/acscatal.7b03443]
34. Changhong Lin, Dekun Sheng, Xiangdong Liu, Shaobin Xu, Fance Ji, Li Dong, Yan Zhou, Yuming Yang. (2017) A self-healable nanocomposite based on dual-crosslinked Graphene Oxide/Polyurethane. POLYMER, 127 (241). [10.1016/j.polymer.2017.09.001]
35. Jiheng Ding, Wanjun Peng, Ting Luo, Haibin Yu. (2017) Study on the curing reaction kinetics of a novel epoxy system. RSC Advances, 7 (12): (6981-6987). [10.1039/C6RA25120J]
36. Jinzhu Chen, Qiyong Xu. (2016) Hydrodeoxygenation of biodiesel-related fatty acid methyl esters to diesel-range alkanes over zeolite-supported ruthenium catalysts. Catalysis Science & Technology, 6 (19): (7239-7251). [10.1039/C6CY01242F]
37. Xiaoxue Ke, Hongbo Liang, Lei Xiong, Shengmei Huang, Min Zhu. (2016) Synthesis, curing process and thermal reversible mechanism of UV curable polyurethane based on Diels-Alder structure. PROGRESS IN ORGANIC COATINGS, 100 (63). [10.1016/j.porgcoat.2016.03.008]
38. Yuannan Xiong, Wenqi Chen, Jianjun Ma, Zhihua Chen, Aiwu Zeng. (2015) Methods to delay deactivation of zeolites on furan acylation: continuous liquid-phase technology and solvent effects. RSC Advances, 5 (125): (103695-103702). [10.1039/C5RA16139H]
39. Bo Zhang, Zhaoping Zhong, Qinglong Xie, Paul Chen, Roger Ruan. (2015) Reducing coke formation in the catalytic fast pyrolysis of bio-derived furan with surface modified HZSM-5 catalysts. RSC Advances, 5 (69): (56286-56292). [10.1039/C5RA08827E]
40. Huiyan Zhang, Mengmeng Luo, Rui Xiao, Shanshan Shao, Baosheng Jin, Guomin Xiao, Ming Zhao, Junyu Liang. (2014) Catalytic conversion of biomass pyrolysis-derived compounds with chemical liquid deposition (CLD) modified ZSM-5. BIORESOURCE TECHNOLOGY, 155 (57). [PMID:24413482] [10.1016/j.biortech.2013.12.085]
41. Shao Shanshan, Zhang Huiyan, Xiao Rui, Shen Dekui, Zheng Jian. (2013) Comparison of Catalytic Characteristics of Biomass Derivates with Different Structures Over ZSM-5. BioEnergy Research, 6 (4): (1173-1182). [10.1007/s12155-013-9303-x]

参考文献

1. Junjian Xie, Jun Zhang, Xiaoyu Wang, Jiawei Xie, Bo Yang, Yuxuan Liang, Ji-Jun Zou, Qiuyu Zhang. (2024) Synthesis of JP-10 analogues high-density fuels via one-pot Diels-Alder/hydrodeoxygenation reaction. FUEL, 361 (130738). [10.1016/j.fuel.2023.130738]
2. Xinjing Li, Yishun Yao, Xue Xia, Foxin Zhang, Jingyang Yu, Heping Cui, Yunwei Niu, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho. (2023) Maillard Reaction Process and Characteristic Volatile Compounds Formed During Secondary Thermal Degradation Monitored via the Change of Fluorescent Compounds in the Reaction of Xylose–Corn Protein Hydrolysate. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:38115213] [10.1021/acs.jafc.3c08082]
3. Lei Chen, Weiyu Luo, Yima He, Lizhen Huang, Jinjie Xu, Kaixin Li, Yonggang Min. (2023) High-Performance Polyimide Films Derived from Biomass-Based Furfural: Fabrication and Properties. Coatings, 13 (10): (1726). [PMID:28191891] [10.3390/coatings13101726]
4. Jiang Wei, Jia Jia, Tong Liao. (2023) Highly selective adsorption of dyes by functional hypercrosslinked-polymers prepared in a facile and chemically stable manner. Journal of Environmental Chemical Engineering, 11 (110555). [10.1016/j.jece.2023.110555]
5. Yinze Zuo, Liang Chen, Yu Wang, Yunxia Guo, Xingling Shi, Yanmin Gao. (2017) Effects of Pyridine and Furan Pretreatment on the Corrosion Resistance of Rust Coating on Mild Steel. International Journal of Electrochemical Science, 12 (9418). [10.20964/2017.10.03]
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