에틸2-브로모티아졸-5-카복실레이트

Ethyl 2-bromothiazole-5-carboxylate

HCID 3614103

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 41731-83-3
표준 SMILES: CCOC(=O)c1cnc(Br)s1
InChIKey: KTYIFXLNIMPSKI-UHFFFAOYSA-N
분자식: C6H6BrNO2S
평균 분자량: 236.09 g/mol
단동위원소 질량: 234.93026153

이름 및 식별자

우선 이름: Ethyl 2-bromothiazole-5-carboxylate
IUPAC: ethyl 2-bromo-1,3-thiazole-5-carboxylate
현지명: 에틸2-브로모티아졸-5-카복실레이트
영어명: Ethyl 2-bromothiazole-5-carboxylate
분자식: C6H6BrNO2S
분자량: 236.09

이름 및 동의어

Ethyl 2-bromothiazole-5-carboxylate41731-83-3DTXSID50394264RefChem:342698DTXCID40345124627-432-8ethyl 2-bromo-1,3-thiazole-5-carboxylate2-Bromo-thiazole-5-carboxylic acid ethyl esterMFCD00463837Ethyl2-bromothiazole-5-carboxylateEthyl 2-bromo-5-thiazolecarboxylate2-bromothiazole-5-carboxylic acid ethyl ester

이름 더 보기

에틸2-브로모티아졸-5-카복실레이트RARECHEM AL BI 1435Ethyl 2-bromothiazole-5-carboxylat2-Bromo-5-(ethoxycarbonyl)thiazoleEthyl 2-bromo-thiazol-5-carboxylateEthyl2-Bromothiazole-5-carboxylate>2-Bromo-5-(ethoxycarbonyl)-1,3-thiazoleethyl 5-bromo-1,3-thiazole-2-carboxylate

CS-W002625PB30639SY0066962-bromo-5-thiazolecarboxylic acid ethyl esterEN300-523882-bromo-1,3-thiazole-5-carboxylic ethyl ester2-bromo-1,3-thiazole-5-carboxylic acid ethyl esterA6868

데이터베이스 식별자

CAS: 41731-83-3
PubChem CID: 3614103
DTXSID: DTXSID50394264
ChEMBL: CHEMBL5203343
EC Number: 627-432-8
Nikkaji: J1.891.951F

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 67.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 60 · 60-61 °C(Solv: ligroine (8032-32-4))
끓는 점: 216 · 216-217 °C (lit.)
밀도: 1.581 g/mL · 1.581 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5530(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): -0.98 · -0.98±0.10(Predicted)
물리적 상태: 투명한 액체
색상: Light orange to Yellow to Green
수용성: 물과 섞임.
InChI: InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
InChIKey: KTYIFXLNIMPSKI-UHFFFAOYSA-N
SMILES: S1C(C(OCC)=O)=CN=C1Br

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Sens. 1 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29341000
risk_code: 43
hazard_code: Xi
safety_code: 36/37
위험 참고 사항: Harmful/Keep Cold
Hazard Classifications: Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Ethyl 2-bromothiazole-5-carboxylate is used in medicine, pharmaceutical intermediate

상·하류 제품 정보

상류 원료

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

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