메틸4-브로모-3-하이드록시티오펜-2-카복실레이트

Methyl 4-bromo-3-hydroxythiophene-2-carboxylate

HCID 2777611CAS 95201-93-7

기본 정보

표준 SMILES
COC(=O)c1scc(Br)c1O
InChIKey
UFTXASQYKJFRKI-UHFFFAOYSA-N
분자식
C6H5BrO3S
평균 분자량
237.07 g/mol
단동위원소 질량
235.91427712

이름 및 식별자

우선 이름
Methyl 4-bromo-3-hydroxythiophene-2-carboxylate
IUPAC
methyl 4-bromo-3-hydroxythiophene-2-carboxylate
현지명
메틸4-브로모-3-하이드록시티오펜-2-카복실레이트
영어명
METHYL 4-BROMO-3-HYDROXYTHIOPHENE-2-CARBOXYLATE
분자식
C6H5BrO3S
분자량
237.07

이름 및 동의어

methyl 4-bromo-3-hydroxythiophene-2-carboxylate95201-93-7DTXSID30380589RefChem:355621DTXCID10331615MFCD000520812-Thiophenecarboxylic acid, 4-bromo-3-hydroxy-, methyl esterAKOS005067760methyl4-bromo-3-hydroxythiophene-2-carboxylateMethyl 4-bromo-3-hydroxy-2-thiophenecarboxylate2-Thiophenecarboxylicacid,4-bromo-3-hydroxy-,methyl esterMethyl-3-hydroxy-4-b
이름 더 보기
메틸4-브로모-3-하이드록시티오펜-2-카복실레이트Methyl-4-bromo-3-hydroxythophene2-carboxylateMethyl 4-bromo-3-hydroxythiophene-3-carboxylatemethyl 3-hydroxy-4-bromo-2-thiophenecarboxylatemethyl-3-hydroxy-4-bromo thiophen-2-carboxylate(4-bromo-3-oxo-2-thiophenylidene)-methoxymethanolate4-BROMO-3-HYDROXYTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTERMETHYL 4-BROMO-3-HYDROXYTHIOPHENE-2-CARBOXYLATE ISO 9001:2015 REACH
Maybridge1_0040124-Bromo-3-hydroxy-2-(methoxycarbonyl)thiopheneSCHEMBL1760863HMS552O08UFTXASQYKJFRKI-UHFFFAOYSA-NVDA20193SBB053878CCG-240049

데이터베이스 식별자

CAS
95201-93-7
PubChem CID
2777611
DTXSID
DTXSID30380589
Nikkaji
J284.778G

물성

구조 계산 물성

XLogP
2.7
극성 표면적
74.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
11

물리화학적 성질

녹는점
79 · 79-80°C
끓는 점
247.9 · 247.9±35.0℃ (760 Torr)
밀도
1.803 · 1.803±0.06 g/cm3 (20 ºC 760 Torr)
인화점
103.7 · 103.7±25.9℃
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa)
7.93 · 7.93±0.15(Predicted)

안전 및 규제

안전 데이터

HS 번호
2934999090
risk_code
36/37/38
safety_code
26-37/39

화학 및 산업

응용 분야

용도The synthesis of the thienopyranone scaffold began with the alkylation of methyl 4-bromo-3-hydroxythiophene-2-carboxylate with N-acetylmorpholine.

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

관련 반응

28건

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