CAS 19075-58-2 6-Bromo-1-benzothiophene-2-carboxylic acid (HCID 13567980)

기본 정보

CAS: 19075-58-2
표준 SMILES: O=C(O)c1cc2ccc(Br)cc2s1
InChIKey: CKBBSFOOIOHLPC-UHFFFAOYSA-N
분자식: C9H5BrO2S
평균 분자량: 257.11 g/mol
단동위원소 질량: 255.9193625

이름 및 식별자

우선 이름: 6-Bromo-1-benzothiophene-2-carboxylic acid
IUPAC: 6-bromo-1-benzothiophene-2-carboxylic acid
현지명: 6-브로모-벤조[B]티오펜-2-카르복실산
영어명: 6-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
분자식: C9H5BrO2S
분자량: 257.1

이름 및 동의어

19075-58-26-Bromobenzo[b]thiophene-2-carboxylic acid6-bromo-1-benzothiophene-2-carboxylic acid6-Bromo-benzo[b]thiophene-2-carboxylic acidBENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 6-BROMO-MFCD073715406-BROMOBENZOTHIOPHENE-2-CARBOXYLIC ACIDAC-274476-Bromobenzo[b]thiophene-2-carboxylicacidEN300-412186-Bromo-benzo[b]-thiophene-2-carboxylic acid6-bromobenzothiophene2-car

이름 더 보기

6-브로모-벤조[B]티오펜-2-카르복실산6-bromo-2-benzothiophenecarboxylic acid6-Bromobenzo[b]thiophen-2-carboxylic acid6-Bromobenzo[b]thiophene-2-carboxylic acid (95%)

Benzo[b]thiophene-2-carboxylic acid,6-bromo-SCHEMBL498133SCHEMBL30151656DTXSID00544015CKBBSFOOIOHLPC-UHFFFAOYSA-NALBB-028255SBB101826STL234252

데이터베이스 식별자

CAS: 19075-58-2
PubChem CID: 13567980
DTXSID: DTXSID00544015
EC Number: 606-218-8

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 222

물리화학적 성질

녹는점: 262 · 262-265
끓는 점: 429.7 · 429.7±25.0 °C(Predicted)
밀도: 1.813 · 1.813±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
산도 계수 (pKa): 3.34 · 3.34±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.