CAS 110545-67-0 Methyl 4-bromo-3-methoxythiophene-2-carboxylate (HCID 2736824)

기본 정보

CAS: 110545-67-0
표준 SMILES: COC(=O)c1scc(Br)c1OC
InChIKey: AAUKODCGPDBXCN-UHFFFAOYSA-N
분자식: C7H7BrO3S
평균 분자량: 251.1 g/mol
단동위원소 질량: 249.92992718

이름 및 식별자

우선 이름: Methyl 4-bromo-3-methoxythiophene-2-carboxylate
IUPAC: methyl 4-bromo-3-methoxythiophene-2-carboxylate
현지명: 메틸4-브로모-3-메톡시티오펜-2-카르복실레이트
영어명: Methyl 4-bromo-3-methoxythiophene-2-carboxylate
분자식: C7H7BrO3S
분자량: 251.1

이름 및 동의어

methyl 4-bromo-3-methoxythiophene-2-carboxylate110545-67-0DTXSID90371630RefChem:355623DTXCID10322664639-371-4MFCD00173933Maybridge1_003930Methyl 4-bromo-3-(methyloxy)-2-thiophenecarboxylateSCHEMBL1529419HMS552K14CCG-242155

이름 더 보기

메틸4-브로모-3-메톡시티오펜-2-카르복실레이트4-Bromo-3-methoxy-2-(methoxycarbonyl)thiopheneMethyl4-bromo-3-methoxythiophene-2-carboxylate97%Methyl 4-bromo-3-methoxythiophene-2-carboxylate 98%4-Bromo-3-methoxythiophen-2-carboxylic acid methyl ester4-bromo-3-methoxy-2-thiophenecarboxylic acid methyl ester4-Bromo-3-methoxy-thiophene-2-carboxylic acid methyl ester2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-, methyl ester4-Bromo-3-methoxy-2-(methoxycarbonyl)thiophene, Methyl 4-bromo-3-methoxy-2-thenoate

TS-03421CS-0211736D88141Methyl 4-bromo-3-methoxy-2-thiophenecarboxylatemethyl-4-bromo-3-methoxy-2-thiophenecarboxylate4-bromo-3-methoxy-thA802212AAUKODCGPDBXCN-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 110545-67-0
PubChem CID: 2736824
DTXSID: DTXSID90371630
EC Number: 639-371-4

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 63.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 73 °C · 73 °C
끓는 점: 300 · 300.0±35.0 °C(Predicted)
밀도: 1.599 · 1.599±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.