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기본 정보
- CAS
54045-74-8- 표준 SMILES
COC(=O)c1cnc(Br)s1- InChIKey
HNLVIKMXFBRZDF-UHFFFAOYSA-N- 분자식
- C5H4BrNO2S
- 평균 분자량
- 222.06 g/mol
- 단동위원소 질량
- 220.91461
이름 및 식별자
- 우선 이름
- Methyl 2-bromothiazole-5-carboxylate
- IUPAC
- methyl 2-bromo-1,3-thiazole-5-carboxylate
- 현지명
- 메틸2-브로모티아졸-5-카르복실레이트
- 영어명
- Methyl 2-bromothiazole-5-carboxylate
- 분자식
- C5H4BrNO2S
- 분자량
- 222.06
이름 및 동의어
Methyl 2-bromothiazole-5-carboxylate54045-74-8DTXSID30378502RefChem:354147DTXCID80329529676-528-6methyl 2-bromo-1,3-thiazole-5-carboxylateMFCD037885652-bromo-1,3-thiazole-5-carboxylic acid methyl esterCS-D1612methyl 2-bromothiazole-5-caboxylatemethyl 2-bromo-5-thiazolecarboxylate
이름 더 보기
메틸2-브로모티아졸-5-카르복실레이트Methyl 5-broMothiazole-2-carboxylateRARECHEM AL BF 1435METHYL 2-BROMOTHIAZOLE-5-CARBOYLATEMethyl 2-bromo-thiazol-5-carboxylateMETHYL 2-BROMO-5-THIAZOLE CARBOXYLATEMethyl 2-bromothiazole-5-carboxylate 96%Methyl 2-bromo-1,3-thiazole-5-carboxylate 99+%2-BroMo-5-thiazolecarboxylic acid Methyl ester
2-BROMO-THIAZOLE-5-CARBOXYLIC ACID METHYL ESTERFS-14302-Bromothiazole-5-carboxylic acid methyl ester5-Thiazolecarboxylic acid, 2-bromo-, methyl esterMethyl2-bromothiazole-5-carboxylateSCHEMBL472995CHEMBL51802592-bromo-5-methoxycarbonylthiazole
데이터베이스 식별자
- CAS
54045-74-8- PubChem CID
- 2773502
- DTXSID
DTXSID30378502- ChEMBL
CHEMBL5180259- EC Number
- 676-528-6
물성
구조 계산 물성보충 중
- XLogP
- 2.2
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 144
물리화학적 성질
- 녹는점
- 78 · 78-80°C
- 끓는 점
- 263.3 · 263.3±13.0 °C(Predicted)
- 밀도
- 1.759 · 1.759±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- -1.09 · -1.09±0.10(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 노란색, 주황색으로
- InChI
- InChI=1S/C5H4BrNO2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3
- InChIKey
- HNLVIKMXFBRZDF-UHFFFAOYSA-N
- SMILES
- S1C(C(OC)=O)=CN=C1Br
화학적 성질
Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29341000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-24/25
- 위험 참고 사항
- Irritant/Keep Cold
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
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]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海速博化学科技有限公司21-54820552 17702105771 · [email protected]
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