2-브로모-1-(5-클로로-티오펜-2-일)-에타논

2-(Bromoacetyl)-5-chlorothiophene

HCID 2063634

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 57731-17-6
표준 SMILES: O=C(CBr)c1ccc(Cl)s1
InChIKey: YIKFQMAUWNYCHK-UHFFFAOYSA-N
분자식: C6H4BrClOS
평균 분자량: 239.52 g/mol
단동위원소 질량: 237.88547553

이름 및 식별자

우선 이름: 2-(Bromoacetyl)-5-chlorothiophene
IUPAC: 2-bromo-1-(5-chlorothiophen-2-yl)ethanone
현지명: 2-브로모-1-(5-클로로-티오펜-2-일)-에타논
영어명: 2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone
분자식: C6H4BrClOS
분자량: 239.52

이름 및 동의어

2-(bromoacetyl)-5-chlorothiopheneRefChem:459890673-015-957731-17-62-bromo-1-(5-chlorothiophen-2-yl)ethanone2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone2-bromo-1-(5-chlorothiophen-2-yl)ethan-1-oneMFCD008298202-bromo-1-(5-chloro-2-thienyl)-1-ethanone2-bromo-1-(5-chloro-2-thienyl)ethanone2-bromo-1-(5-chlorothien-2-yl)ethanoneSCHEMBL230769

이름 더 보기

2-브로모-1-(5-클로로-티오펜-2-일)-에타논AKOS BBS-00006555TIMTEC-BB SBB0055853(2-BROMOACETYL)-5-CHLOROTHIOPHENEEthanone, 2-bromo-1-(5-chloro-2-thienyl)-2-bromo-1-(5-chloro-2-thiophenyl)ethanone2-Bromo-1-(5-chlorothien-2-yl)ethan-1-one2-Bromo-1-(5-chloro-2-thienyl)ethan-1-one

SCHEMBL7215510DTXSID90366304YIKFQMAUWNYCHK-UHFFFAOYSA-NALBB-034446HCA73117SBB005585AKOS000115711PB43098

데이터베이스 식별자

CAS: 57731-17-6
PubChem CID: 2063634
DTXSID: DTXSID90366304
EC Number: 673-015-9

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 142

물리화학적 성질

녹는점: 73 · 73-75
끓는 점: 309.2 · 309.2±32.0 °C(Predicted)
밀도: 1.766 · 1.766±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태: 고체
색상: 녹색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (25%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.