Basic information
- CAS
502145-18-8- Standard SMILES
Nc1nc(Br)cs1- InChIKey
QJPQUNWGOHADOB-UHFFFAOYSA-N- Molecular formula
- C3H3BrN2S
- Average molar mass
- 179.04 g/mol
- Monoisotopic mass
- 177.92003
Names & identifiers
- Preferred name
- 4-Bromo-1,3-thiazol-2-amine
- IUPAC
- 4-bromo-1,3-thiazol-2-amine
- English name
- 2-Amino-4-bromothiazole
- Molecular formula
- C3H3BrN2S
- Molecular weight
- 179.04
Names & synonyms
4-bromo-1,3-thiazol-2-amineRefChem:518846815-169-32-Amino-4-bromothiazole502145-18-84-BROMO-THIAZOL-2-YLAMINE4-bromothiazol-2-amine4-bromo-2-thiazolamineMFCD06804547bromo thiazole amine4-BROMO-2-AMINOTHIAZOLESCHEMBL722616
Show more names
NSC 227856Amino-4-bromothiazole2-ThiazolaMine, 4-broMo-4-BroMo-thiazole-2-ylaMine
DTXSID403302324-Bromothiazol-2-ylamineQJPQUNWQJPQUNWGOHADOB-UHFFFAOYSA-NAKOS006286750AB30368CS-W004696FB19104
Database identifiers
- CAS
502145-18-8- PubChem CID
- 428024
- DTXSID
DTXSID40330232- EC Number
- 815-169-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 70
Physicochemical properties
- Boiling point
- 287.6 · 287.6±13.0 °C(Predicted)
- Density
- 1.976 · 1.976±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 2.17 · 2.17±0.10(Predicted)
- form
- solid
- color
- Dark Brown
- InChI
- InChI=1S/C3H3BrN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)
- InChIKey
- QJPQUNWGOHADOB-UHFFFAOYSA-N
- SMILES
- S1C=C(Br)N=C1N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-4-bromothiazole is used in the preparation of coumarin derivatives with antimicrobial properties.
Suppliers100 total
荟达医药科技(上海)有限公司15173502222 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
2 records
Compound notes
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