3-브로모메틸-티오펜-2-카르복실산메틸에스테르

Methyl 3-(bromomethyl)thiophene-2-carboxylate

HCID 10537693

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59961-15-8
표준 SMILES: COC(=O)c1sccc1CBr
InChIKey: INQCGTXAYKWHGH-UHFFFAOYSA-N
분자식: C7H7BrO2S
평균 분자량: 235.1 g/mol
단동위원소 질량: 233.93501256

이름 및 식별자

우선 이름: Methyl 3-(bromomethyl)thiophene-2-carboxylate
IUPAC: methyl 3-(bromomethyl)thiophene-2-carboxylate
현지명: 3-브로모메틸-티오펜-2-카르복실산메틸에스테르
영어명: 3-BROMOMETHYL-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
분자식: C7H7BrO2S
분자량: 235.1

이름 및 동의어

59961-15-8Methyl 3-(bromomethyl)thiophene-2-carboxylateDTXSID60441455RefChem:354735DTXCID603922763-Bromomethyl-thiophene-2-carboxylic acid methyl esterMFCD08689596Methyl3-(bromomethyl)thiophene-2-carboxylate3-Bromomethyl-thiophene-2-carboxylic acid methylSCHEMBL1586752-Thiophenecarboxylic acid, 3-(bromomethyl)-, methyl esterINQCGTXAYKWHGH-UHFFFAOYSA-N

이름 더 보기

3-브로모메틸-티오펜-2-카르복실산메틸에스테르3-(bromomethyl)-2-Thiophenecarboxylic acid methyl ester

methyl 3-(bromomethyl)-2-thenoateJCA96115XH0728AKOS015852121AS-33688SY185178DB-012651methyl 3-bromomethyl-2-thiophenecarboxylate

데이터베이스 식별자

CAS: 59961-15-8
PubChem CID: 10537693
DTXSID: DTXSID60441455
EC Number: 675-860-9
Nikkaji: J1.488.597H

물성

구조 계산 물성

XLogP: 2.3
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

녹는점: 32 · 32-33 °C
끓는 점: 118 · 118-120 °C(Press: 0.5 Torr)
밀도: 1.606 · 1.606±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.