Methyl 2-(5-bromothiophen-2-yl)acetate

HCID 12403315CAS 67137-56-8

기본 정보

표준 SMILES: COC(=O)Cc1ccc(Br)s1
InChIKey: KEYPHZZYKZVXLU-UHFFFAOYSA-N
분자식: C7H7BrO2S
평균 분자량: 235.1 g/mol

이름 및 식별자

우선 이름: Methyl 2-(5-bromothiophen-2-yl)acetate
IUPAC: methyl 2-(5-bromothiophen-2-yl)acetate
영어명: Methyl 2-(5-broMothiophen-2-yl)acetate
분자식: C7H7BrO2S
분자량: 235.1

이름 및 동의어

Methyl 2-(5-bromothiophen-2-yl)acetate67137-56-8RefChem:813563831-596-8MFCD193540702-Thiopheneacetic acid, 5-bromo-, methyl esterSCHEMBL1598343KEYPHZZYKZVXLU-UHFFFAOYSA-Nmethyl (5-bromo-2-thienyl)acetateSCA13756methyl2-(5-bromo-2-thienyl)acetateAKOS017409157

이름 더 보기

methyl 2-(5-bromo-2-thienyl)acetateMethyl2-(5-bromothiophen-2-yl)acetateAS-41098SY076776DB-171800CS-0434795EN300-225257(5-bromo-thiophen-2-yl)-acetic acid methyl ester

데이터베이스 식별자

CAS: 67137-56-8
PubChem CID: 12403315
EC Number: 831-596-8

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

저장 조건: 2 · Storage temp. 2-8°C

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.