Benzo[b]thiophene-2-carbonyl Chloride

HCID 142384

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39827-11-7
표준 SMILES: O=C(Cl)c1cc2ccccc2s1
InChIKey: DNGLRCHMGDDHNC-UHFFFAOYSA-N
분자식: C9H5ClOS
평균 분자량: 196.65 g/mol
단동위원소 질량: 195.97496346

이름 및 식별자

우선 이름: Benzo[b]thiophene-2-carbonyl Chloride
IUPAC: 1-benzothiophene-2-carbonyl chloride
영어명: Benzo[b]thiophene-2-carbonyl chloride
분자식: C9H5ClOS
분자량: 196.65

이름 및 동의어

Benzo[b]thiophene-2-carbonyl chlorideThianaphthene-2-carbonyl chlorideBenzo(b)thiophene-2-carbonyl chlorideDTXSID80192891RefChem:326199DTXCID20115382679-311-4DNGLRCHMGDDHNC-UHFFFAOYSA-N39827-11-71-Benzothiophene-2-carbonyl chloridebenzo[b]thiophene-2-carbonylchlorideMFCD00051635

이름 더 보기

SKL1204AKOS 92494BUTTPARK 98\04-18Benzothiophene-2-Carbonyl ChlorideBenzobüthiophene-2-carbonyl chloride, 98%Benzo[b]thiophene-2-carbonyl Chloride >Benzo[b]thiophene-2-carbonyl chloride ,98%

SCHEMBL1035292-benzothiophenecarbonyl chloride2-benzo[b]thiophenecarbonyl chloridebenzothiophene-2-carboxylic acid chlorideBP-10051B4637benzo[b]tbenzo[b]thiophene-2-carboxylic acid chloride

데이터베이스 식별자

CAS: 39827-11-7
PubChem CID: 142384
DTXSID: DTXSID80192891
EC Number: 679-311-4
Nikkaji: J89.312I

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 195

물리화학적 성질

녹는점: 85 · 85-86°C
끓는 점: 176 °C/17mmHg · 176°C/17mmHg(lit.)
밀도: 1.41 · 1.410±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
색상: White to Orange to Green
BRN: 125174 · 125174

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.