基本描述

别名	碘代苯
英文别名	I0050 \| 4-iodobenzene \| AMY10020 \| UNII-9HK5L7YBBR \| C6H5I \| 3-iodobenzene \| CS-W008603 \| FT-0670366 \| PHENYLIODIDE \| phenyl-iodide \| iodiobenzene \| NSC9244 \| NSC-9244 \| BCP22486 \| HSDB 7859 \| DB02252 \| IODOPHENYL \| Iodinebenzol \| AI3-16898 \| DTXSID806045
规格或纯度	≥98%
英文名称	Iodobenzene
运输条件	常规运输
产品介绍	遇光或空气中放置易变黄，有特殊气味，溶于醇、醚、苯和氯仿，不溶于水。低毒，半数致死量(大鼠，经口)1799mg/kg。有刺激性。测折光率标准液。有机合成。工业上用于液晶材料，医药原料中间体等．

AI解读

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

PubChem SID	488181385
EC号	209-719-6
分子类型	小分子
IUPAC Name	iodobenzene
INCHI	InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
InChi Key	SNHMUERNLJLMHN-UHFFFAOYSA-N
Canonical SMILES	C1=CC=C(C=C1)I
Isomeric SMILES	C1=CC=C(C=C1)I
WGK Germany	3
RTECS	DA3390000
PubChem CID	11575
分子量	204.01
Beilstein号	1446140

化学和物理性质

溶解性	Soluble in ethanol, chloroform, ether, and DMSO (slightly). Insoluble in water.
密度	1.83
敏感性	对光敏感
折光率	1.62
闪点(℉)	170.6 °F
闪点(℃)	77 °C
沸点	188°C
熔点	-29°C
分子量	204.010 g/mol
XLogP3	3.200
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	0
可旋转键计数Rotatable Bond Count	0
精确质量Exact Mass	203.944 Da
单同位素质量Monoisotopic Mass	203.944 Da
拓扑极表面积Topological Polar Surface Area	0.000 Å²
重原子数Heavy Atom Count	7
形式电荷Formal Charge	0
复杂度Complexity	46.100
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）

象形图	GHS07
信号词	Warning
危险声明	H319: 引起严重眼睛刺激 H302: 吞食有害 H332: 吸入有害
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P271: 仅在室外或通风良好的地方使用。 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。 P330: 漱口 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P301+P317: 如果被吞咽：请寻求医疗帮助。 P317: 寻求紧急医疗救助。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。
WGK Germany	3
RTECS	DA3390000
Merck Index	5029
个人防护装备	Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

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批号(Lot Number)	证书类型	日期	货号
A2517062	分析证书	25-01-21	I104581
B2526004	分析证书	25-01-21	I104581
A2513212	分析证书	24-01-19	I104581
H2402069	分析证书	24-01-19	I104581
A2408066	分析证书	24-01-19	I104581
G2311060	分析证书	23-07-22	I104581
H2430009	分析证书	23-06-12	I104581
F23061494	分析证书	23-06-12	I104581
C2427016	分析证书	23-06-12	I104581
H2117233	分析证书	23-05-12	I104581
C23181250	分析证书	23-03-28	I104581
C23181328	分析证书	23-03-24	I104581
C23181343	分析证书	23-03-24	I104581
C23181246	分析证书	23-03-24	I104581
C23181251	分析证书	23-03-23	I104581
B2316349	分析证书	23-02-23	I104581
I2208386	分析证书	22-09-19	I104581
K2025208	分析证书	22-09-16	I104581
C2215292	分析证书	22-03-19	I104581

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此产品的引用文献

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1. Xu Chenzhe, Qiu Yue, Wang Zheng, Gao Zifei, Liu Cai, Sun Yanran, Zhang Haitao, Ma Juanjuan, Liu Lin, Liu Chao, Tong Zhiwei. (2023) Fabrication of Pd NPs/Mg–Al LDH via a facile one-step hydrothermal method as highly active and stable heterogeneous catalyst for Heck coupling reaction. JOURNAL OF MATERIALS SCIENCE, 58 (36): (14299-14314). [PMID:12963728] [10.1007/s10853-023-08885-7]
2. Miaomiao Li, Ying Li, Chunping Li, Tong Xu, Yinghui Sun, Jie Bai. (2023) Carbon nanofibers anchored LZ-276 zeolite supported Pd-Cu bimetallic catalyst for Suzuki-Miyaura coupling reaction. INORGANIC CHEMISTRY COMMUNICATIONS, 157 (25): (111441). [PMID:27903914] [10.1016/j.inoche.2023.111441]
3. Sun Kai, Xue Yuman, Zhang Xin, Li Xiaodong, Zhao Jun, Xu Xilin, Zhang Xiaofeng, Yang Fubiao. (2023) Tanshinone I alleviates steroid-induced osteonecrosis of femoral heads and promotes angiogenesis: in vivo and in vitro studies. Journal of Orthopaedic Surgery and Research, 18 (1): (1-15). [PMID:37391758] [10.1186/s13018-023-03934-y]
4. Yanqi Ban, Hui Wang, Zixuan Xiao, Lishui Sun, Qingyan Pan, Yingjie Zhao. (2023) Interfacial Synthesis of an Ultrathin Two-Dimensional Polymer Film via [2 + 2] Photocycloaddition. MOLECULES, 28 (4): (1930). [PMID:36838919] [10.3390/molecules28041930]
5. Mingyang Gao, Jiamin Wang, Weixiang Shang, Yuchao Chai, Weili Dai, Guangjun Wu, Naijia Guan, Landong Li. (2023) Zeolite-encaged palladium catalysts for heterogeneous Suzuki-Miyaura cross-coupling reactions. CATALYSIS TODAY, 410 (237). [10.1016/j.cattod.2022.02.011]
6. Dandan Lu, Keyang Yin, Ya Zhao, Zelin Gao, Nicolas Godbert, Hongmei Li, Hongguang Li, Jingcheng Hao. (2021) Facile synthesis of alkylated carbon dots with blue emission in halogenated benzene solvents. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 613 (126129). [10.1016/j.colsurfa.2020.126129]
7. Jinqiang Tan, Huamei Zhu, Shasha Cao, Sisi Chen, Yuanfu Tian, Dachuan Ding, Xuan Zheng, Chuanqun Hu, Tao Hu, Chonggang Wu. (2020) Preparation and catalytic properties of poly(methyl methacrylate)-supported Pd0 obtained from room-temperature, dark reduction of ionic aggregates of the unstable Pd2+ solution ionomer. RSC Advances, 10 (70): (43175-43186). [PMID:35514939] [10.1039/D0RA08653C]
8. Jin Li, Ying Song, Yanna Wang, Hui Zhang. (2020) Ultrafine PdCu Nanoclusters by Ultrasonic-Assisted Reduction on the LDHs/rGO Hybrid with Significantly Enhanced Heck Reactivity. ACS Applied Materials & Interfaces, 12 (45): (50365–50376). [PMID:33108171] [10.1021/acsami.0c09106]
9. Kunlin Liu, Jiuzhou Wang, Ting Yang, Hong Wang, Chengyang Wang, Mingming Chen. (2020) An “in situ templating” strategy towards mesoporous carbon for high-rate supercapacitor and high-adsorption capacity on dye macromolecules. CARBON, 164 (19). [10.1016/j.carbon.2020.03.050]
10. Tao Ma, Feng Liang. (2020) Au–Pd Nanostars with Low Pd Content: Controllable Preparation and Remarkable Performance in Catalysis. Journal of Physical Chemistry C, 124 (14): (7812–7822). [10.1021/acs.jpcc.0c00031]
11. Jin Li, Ying Song, Yajuan Wang, Hui Zhang. (2019) Enhanced Heck reaction on flower-like Co(Mg or Ni)Al layered double hydroxide supported ultrafine PdCo alloy nanocluster catalysts: the promotional effect of Co. DALTON TRANSACTIONS, 48 (48): (17741-17751). [PMID:31746876] [10.1039/C9DT03663F]
12. Pei Yin, Tao Wang, Yuan Yang, Weidong Yin, Shaoxiong Zhang, Zengming Yang, Chunxuan Qi, Hengchang Ma. (2019) Positive charge-dependent cell targeted staining and DNA detection. NEW JOURNAL OF CHEMISTRY, 43 (46): (18251-18258). [10.1039/C9NJ03993G]
13. Yuanyuan Zhang, Guangming Zhu, Biqin Dong, Jiaoning Tang, Jide Li, Guanghui Yang, Shuxian Hong, Feng Xing. (2019) One-Step Generation of Multistimuli-Responsive Microcapsules via the Multilevel Interfacial Assembly of Polymeric Complexes. ACS Applied Materials & Interfaces, 11 (46): (43741–43750). [PMID:31652048] [10.1021/acsami.9b15863]
14. Zheng Deng, Xinsheng Peng, Yu-Jia Zeng. (2019) Ferrocenecarboxylic acid: a functional modulator for UiO-66 synthesis and incorporation of Pd nanoparticles. CRYSTENGCOMM, 21 (11): (1772-1779). [10.1039/C9CE00067D]
15. Hengchang Ma, Manyi Yang, Shaoxiong Zhang, Pei Yin, Tao Wang, Yuan Yang, Ziqiang Lei, Yucheng Ma, Yanfang Qin, Zengming Yang. (2019) Two aggregation-induced emission (AIE)-active reaction-type probes: for real-time detecting and imaging of superoxide anions. ANALYST, 144 (2): (536-542). [PMID:30406221] [10.1039/C8AN01811A]
16. Jin Li, Yajuan Wang, Shunwang Jiang, Hui Zhang. (2018) Facile synthesis of magnetic recyclable palladium-gold alloy nanoclusters catalysts PdAur/Fe3O4@LDH and its catalytic applications in Heck reaction. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 878 (84). [10.1016/j.jorganchem.2018.10.007]
17. Li Jiali, Kong Xianggui, Jiang Meihong, Lei Xiaodong. (2018) Uniformly dispersed Pd nanoparticles anchored Co(OH)2/Cu(OH)2 hierarchical nanotube array as high active structured catalyst for Suzuki–Miyaura coupling reactions. JOURNAL OF MATERIALS SCIENCE, 53 (24): (16263-16275). [10.1007/s10853-018-2781-7]
18. Rui Yu, Rui Liu, Jie Deng, Maofei Ran, Ning Wang, Wei Chu, Zhiwei He, Zheng Du, Chengfa Jiang, Wenjing Sun. (2018) Pd nanoparticles immobilized on carbon nanotubes with a polyaniline coaxial coating for the Heck reaction: coating thickness as the key factor influencing the efficiency and stability of the catalyst. Catalysis Science & Technology, 8 (5): (1423-1434). [10.1039/C7CY02588B]
19. Yanna Wang, Liguang Dou, Hui Zhang. (2017) Nanosheet Array-Like Palladium-Catalysts Pdx/rGO@CoAl-LDH via Lattice Atomic-Confined in Situ Reduction for Highly Efficient Heck Coupling Reaction. ACS Applied Materials & Interfaces, 9 (44): (38784–38795). [PMID:29028354] [10.1021/acsami.7b11695]
20. Hengchang Ma, Manyi Yang, Caili Zhang, Yucheng Ma, Yanfang Qin, Ziqiang Lei, Lu Chang, Lei Lei, Tao Wang, Yuan Yang. (2017) Aggregation-induced emission (AIE)-active fluorescent probes with multiple binding sites toward ATP sensing and live cell imaging. Journal of Materials Chemistry B, 5 (43): (8525-8531). [PMID:32264520] [10.1039/C7TB02399E]
21. Qinrui Fu, Yuan Meng, Zilin Fang, Quanqin Hu, Liang Xu, Wenhua Gao, Xiaochun Huang, Qiao Xue, Ya-Ping Sun, Fushen Lu. (2017) Boron Nitride Nanosheet-Anchored Pd–Fe Core–Shell Nanoparticles as Highly Efficient Catalysts for Suzuki–Miyaura Coupling Reactions. ACS Applied Materials & Interfaces, 9 (3): (2469–2476). [PMID:28051299] [10.1021/acsami.6b13570]
22. Guangjian Zeng, Meiying Liu, Kexin Shi, Chunning Heng, Liucheng Mao, Qing Wan, Hongye Huang, Fengjie Deng, Xiaoyong Zhang, Yen Wei. (2016) Surface modification of nanodiamond through metal free atom transfer radical polymerization. APPLIED SURFACE SCIENCE, 390 (710). [10.1016/j.apsusc.2016.08.154]
23. Wentong Song, Shengyang Tao, Yongxian Yu, Xuanlu Du, Shuo Wang. (2016) Preparing magnetic multicomponent catalysts via a bio-inspired assembly for heterogeneous reactions. RSC Advances, 6 (74): (69909-69918). [10.1039/C6RA12088A]
24. Jianqiang Zhang, Yongsheng Peng, Wenguang Leng, Yanan Gao, Feifei Xu, Jinling Chai. (2016) Nitrogen ligands in two-dimensional covalent organic frameworks for metal catalysis. CHINESE JOURNAL OF CATALYSIS, 37 (468). [10.1016/S1872-2067(15)61050-6]
25. Tao Xing, Kai Zhang. (2015) Syntheses of novel soluble carborane polyimides with ultrahigh thermal stability. POLYMER INTERNATIONAL, 64 (12): (1715-1721). [10.1002/pi.4971]
26. Mingxi Chen, Zhe Zhang, Lingzhi Li, Yu Liu, Wei Wang, Jianping Gao. (2014) Fast synthesis of Ag–Pd@reduced graphene oxide bimetallic nanoparticles and their applications as carbon–carbon coupling catalysts. RSC Advances, 4 (58): (30914-30922). [10.1039/C4RA05186F]
27. Zeng Yan, Wang Yanhua, Xu Yicheng, Song Ying, Jiang Jingyang, Jin Zilin. (2013) Pd Nanoparticles in the Thermoregulated Ionic Liquid and Organic Biphasic System: An Efficient and Recyclable Catalyst for Heck Reaction. CATALYSIS LETTERS, 143 (2): (200-205). [10.1007/s10562-012-0919-9]
28. Kan Zhan, Huanhuan You, Wenyu Liu, Jie Lu, Ping Lu, Jian Dong. (2011) Pd nanoparticles encaged in nanoporous interpenetrating polymer networks: A robust recyclable catalyst for Heck reactions. REACTIVE & FUNCTIONAL POLYMERS, 71 (756). [10.1016/j.reactfunctpolym.2011.04.007]

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29. Yanqi Ban, Hui Wang, Zixuan Xiao, Lishui Sun, Qingyan Pan, Yingjie Zhao. (2023) Interfacial Synthesis of an Ultrathin Two-Dimensional Polymer Film via [2 + 2] Photocycloaddition. MOLECULES, 28 (4): (1930). [PMID:36838919] [10.3390/molecules28041930]
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