1-苯并噻酚-2-羧醛

苯并噻吩-2-甲醛 · 苯并噻酚-2-甲醛 · 1-苯并噻酚-2-羧醛 · 1-苯并噻吩-2-羧醛 · 1-苯并噻吩-2-甲醛 · 1-苯并噻酚-2-甲醛 · 苯并[B]噻酚-2-羧醛 · 苯并[B]噻吩-2-甲醛

标识与物理属性

CAS No.	3541-37-5
分子式	C9H6OS
平均分子量	162.21 g/mol
单同位素质量	162.01393598 g/mol
SMILES	O=Cc1cc2ccccc2s1
InChIKey	NXSVNPSWARVMAY-UHFFFAOYSA-N
PubChem CID	736500
ChEMBL	CHEMBL3358202
EC No.	627-681-2
DTXSID	DTXSID00353043
中文名	1-苯并噻酚-2-羧醛

XLogP	2.7
极性表面积	45.3
氢键供体	0
氢键受体	2
可旋转键	1
重原子	11
形式电荷	0
复杂度	158
熔点	32-36 °C
沸点	90°C 0,1mm
密度	1.300±0.06 g/cm3(Predicted)
闪点	135-136°C/8mm
储存条件	Keep in dark place,Sealed in dry,Room Temperature
溶解性	soluble in Methanol
形态	powder to lump
颜色	White to Orange to Green
敏感性	Air Sensitive
BRN	114170
InChI	1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
InChIKey	NXSVNPSWARVMAY-UHFFFAOYSA-N
SMILES	O=Cc1cc2ccccc2s1
CAS 数据库	3541-37-5(CAS DataBase Reference)

GHS 分类	WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Eye Irrit. 2A (100%)
水危害等级（WGK）	3
hazard_note	Irritant
储存类别	11 - Combustible Solids
安全说明（S）	26-36/37/39-24/25-22
海关编码	29349990
危险品标志	Xi
危险类别码（R）	36/37/38