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	≥99%(GC)
英文名称	Furan
储存温度	2-8°C储存,避光,充氩
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	微溶于水。易溶于普通有机溶剂，包括乙醇、乙醚和丙酮。
密度	0.94
敏感性	对空气敏感；对光敏感
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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