Benzo(b)thiophene-3-carboxylic acid

BENZO[B]THIOPHENE-3-CARBOXYLIC ACID · 3-Acid · SKL260 · AKOS B007499 · ART-CHEM-BB B007499 · TIMTEC-BB SBB007035 · RARECHEM AL BE 0712 · 3-benzothiophenecarboxylic acid

https://huagongshe.com/ko/chemical/601280

Benzo(b)thiophene-3-carboxylic acid 분자 구조식

식별자 및 물리적 특성

CAS No.	5381-25-9
분자식	C9H6O2S
평균 분자량	178.21 g/mol
단동위원소 질량	178.0088506 g/mol
SMILES	O=C(O)c1csc2ccccc12
InChIKey	DRBLTQNCQJXSNU-UHFFFAOYSA-N
PubChem CID	601280
EC No.	676-510-8
DTXSID	DTXSID50345034

화학 및 물리적 성질

XLogP	2.6
극성 표면적	65.5
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	12
형식 전하	0
복잡도	193
녹는점	174 °C
끓는 점	305-309 °C
밀도	1.419±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
물리적 상태	powder to crystal
pKa(산도 계수)	3.35±0.10(Predicted)
색상	흰색에서 밝은 노란색

화학적 성질

White solid

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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	Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (77.8%)
관세 코드	29339900
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-37/39
위험 등급	IRRITANT

용도

Benzo[b]thiophene-3-carboxylic acid is used as organic chemical synthesis intermediate.