3-Chlorobenzo(b)thiophene-2-carbonyl chloride

HCID 519898CAS 21815-91-8

기본 정보

표준 SMILES: O=C(Cl)c1sc2ccccc2c1Cl
InChIKey: GWKSSMDJEWPKCM-UHFFFAOYSA-N
분자식: C9H4Cl2OS
평균 분자량: 231.1 g/mol
단동위원소 질량: 229.93599111

이름 및 식별자

우선 이름: 3-Chlorobenzo(b)thiophene-2-carbonyl chloride
IUPAC: 3-chloro-1-benzothiophene-2-carbonyl chloride
영어명: 3-Chlorobenzo[b]thiophene-2-carbonyl chloride
분자식: C9H4Cl2OS
분자량: 231.1

이름 및 동의어

3-Chlorobenzo[b]thiophene-2-carbonyl chloride21815-91-8DTXSID703341873-Chlorobenzo(b)thiophene-2-carbonyl chlorideRefChem:278587DTXCID80285277625-793-6GWKSSMDJEWPKCM-UHFFFAOYSA-N3-Chloro-1-benzothiophene-2-carbonyl chloride3-Chlorobenzothiophene-2-carbonyl chlorideMFCD000530693-chlorobenzo[b]thiophen-2-carbonyl chloride

이름 더 보기

AKOS 92491AKOS B000002AKOS AU36-M326ASISCHEM T31091BUTTPARK 30\06-08ZERENEX E/4047725ART-CHEM-BB B000002orobenzo[b]thiophene-2-carbonyL3-CHLOROBENZO-2-CARBONYL CHLORIDE3-CHLOROBENZO(B)THIOPHENE-2-CARBONYL CH&

3-chloro-benzo[b]thiophene-2-carbonyl chlorideBenzo[b]thiophene-2-carbonyl chloride, 3-chloro-3-CHLOROBENZO[B]THIOPHENE-2-CARBONYLCHLORIDE3-Chlorobenzo[b]-2-thiophenecarboxylic acid chlorideSCHEMBL64428ALBB-010796GEO-00658SBB028608

데이터베이스 식별자

CAS: 21815-91-8
PubChem CID: 519898
DTXSID: DTXSID70334187
EC Number: 625-793-6
Nikkaji: J267.203K

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 222

물리화학적 성질

녹는점: 112 · 112-116 °C
끓는 점: 342.2 · 342.2±22.0 °C(Predicted)
밀도: 1.526 · 1.526±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
BRN: 1309703 · 1309703
InChI: InChI=1S/C9H4Cl2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H
InChIKey: GWKSSMDJEWPKCM-UHFFFAOYSA-N
SMILES: C(Cl)(C1SC2=CC=CC=C2C=1Cl)=O

화학적 성질

Yellow to brown solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.