메틸5-브로모-4-메틸-2-티오펜카복실레이트

Methyl 5-bromo-4-methylthiophene-2-carboxylate

HCID 2795489CAS 54796-47-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cc(C)c(Br)s1
InChIKey: RJWZFHRMQRWEIH-UHFFFAOYSA-N
분자식: C7H7BrO2S
평균 분자량: 235.1 g/mol
단동위원소 질량: 233.93501256

이름 및 식별자

우선 이름: Methyl 5-bromo-4-methylthiophene-2-carboxylate
IUPAC: methyl 5-bromo-4-methylthiophene-2-carboxylate
현지명: 메틸5-브로모-4-메틸-2-티오펜카복실레이트
영어명: Methyl 5-bromo-4-methyl-2-thiophenecarboxylate
분자식: C7H7BrO2S
분자량: 235.1

이름 및 동의어

methyl 5-bromo-4-methylthiophene-2-carboxylateRefChem:816969807-138-854796-47-3Methyl 5-bromo-4-methyl-2-thiophenecarboxylateMFCD04038959methyl 5-bromo-4-methyl-2-thiophene carboxylateSCHEMBL261464AKOS0160097205-bromo-4-methyl-2-thiophenecarboxylic acid methyl esterSY022818CS-0136804

이름 더 보기

메틸5-브로모-4-메틸-2-티오펜카복실레이트5-Bromo-2-(methoxycarbonyl)-4-methylthiophene2-Thiophenecarboxylic acid, 5-bromo-4-methyl-, methyl ester5-Bromo-2-(methoxycarbonyl)-4-methylthiophene, Methyl 5-bromo-4-methyl-2-thenoate

methyl 5-bromo-4-methyl-thiophene-2-carboxylate5-Bromo-4-methyl-thiophene-2-carboxylic acid methyl esterFT-0628674DTXSID00383709RJWZFHRMQRWEIH-UHFFFAOYSA-NECA79647SBB098366PS-3430

데이터베이스 식별자

CAS: 54796-47-3
PubChem CID: 2795489
DTXSID: DTXSID00383709
EC Number: 807-138-8

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 35 °C · 35 °C
끓는 점: 275.6 · 275.6±35.0 °C(Predicted)
밀도: 1.575 · 1.575±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.