Benzo(b)thiophene-2-carboxylic acid (HCID 95864)

개요

for prevention of osteoporosis; structure given in first source

이름 및 식별자

우선 이름: Benzo(b)thiophene-2-carboxylic acid
IUPAC: 1-benzothiophene-2-carboxylic acid
영어명: Thianaphthene-2-carboxylic acid
분자식: C9H6O2S
분자량: 178.21

이름 및 동의어

Benzo[b]thiophene-2-carboxylic acid6314-28-9Benzo(b)thiophene-2-carboxylic acidThionaphthene-2-carboxylic acidBL-5583Thionapthene-2-carboxylic acidHLR49221FQNSC-40258NSC-112990DTXSID60212485RefChem:118204DTXCID60134976

이름 더 보기

BL 5583AKOS 92498BUTTPARK 86\18-03TIMTEC-BB SBB003763RARECHEM AL BE 0483Thianaphthene-2-carbbenzothiophene-2-carboxylicThiaphthene-2-carboxylic acidThianaphthene-2-carboxylicaci

Thianaphthene-2-carboxylic acid1-Benzothiophene-2-carboxylic acidtncaBenzothiophene-2-carboxylic acid2-benzo[b]thiophenecarboxylic acidMFCD00051636DivK1c_001383CHEMBL312607

데이터베이스 식별자

CAS: 6314-28-9
PubChem CID: 95864
DTXSID: DTXSID60212485
ChEMBL: CHEMBL312607
UNII: HLR49221FQ
EC Number: 613-148-1
Nikkaji: J81.187D

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 193

물리화학적 성질

녹는점: 241 · 241-244 °C (lit.)
끓는 점: 280.44 °C · 280.44°C (rough estimate)
밀도: 1.3242 · 1.3242 (rough estimate)
굴절률: 1.548 · 1.5480 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 3.48 · 3.48±0.30(Predicted)
색상: 흰색에서 밝은 노란색
수용성: 에탄올, 아세톤, 클로로포름에 용해됩니다. 물에 불용성.
Merck: 14 · 14,9345
BRN: 124613 · 124613
InChI: InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey: DYSJMQABFPKAQM-UHFFFAOYSA-N
SMILES: C12=CC=CC=C1C=C(C(O)=O)S2
NIST: -2 · Thianaphthene-2-carboxylic acid(6314-28-9)

화학적 성질

off-white to yellowish-beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Thianaphthene-2-carboxylic acid may be used for the fabrication of carboxylated conducting polymer/CNTs (carbon nanotubes) composites thin films.

일반 설명Thianaphthene-2-carboxylic acid, a benzothiophene, is a heterocyclic sulfur compound. It undergoes degradation (23%) by employing a mixture of washed cells of Rhodococcus erythropolis DS-3 and Gordonia sp. C-6.

상·하류 제품 정보

상류 원료

하류 제품

2-Bromobenzo[b]thiophene 2-(Hydroxymethyl)benzo[b]thiophene Benzo[b]thiophene-2-carboxaldehyde

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

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Benzo(b)thiophene-2-carboxylic acid

기본 정보

개요