Basic information
- CAS
774230-98-7- Standard SMILES
CC(=O)c1ncc(Br)s1- InChIKey
RNNZWFBZBNHQOO-UHFFFAOYSA-N- Molecular formula
- C5H4BrNOS
- Average molar mass
- 206.06 g/mol
- Monoisotopic mass
- 204.9197
Names & identifiers
- Preferred name
- 1-(5-Bromo-1,3-thiazol-2-yl)ethan-1-one
- IUPAC
- 1-(5-bromo-1,3-thiazol-2-yl)ethanone
- English name
- 1-(5-bromo-1,3-thiazol-2-yl)ethan-1-one
- Molecular formula
- C5H4BrNOS
- Molecular weight
- 206.06
Names & synonyms
774230-98-71-(5-bromo-1,3-thiazol-2-yl)ethan-1-oneDTXSID80652324RefChem:225660DTXCID40603074829-792-31-(5-Bromothiazol-2-yl)ethanone1-(5-bromo-1,3-thiazol-2-yl)ethanoneMFCD098422735-Bromothiazole-2-ethanoneSCHEMBL1808824ZFB23098
Show more names
Ethanone, 1-(5-bromo-2-thiazolyl)-
1-(5-bromothiazol-2-yl)ethan-1-one1-(5-Bromo-thiazol-2-yl)-et1-(5-Bromo-thiazol-2-yl)-ethanoneAKOS015149885PB19039AS-50651SY042295DB-336820
Database identifiers
- CAS
774230-98-7- PubChem CID
- 29939733
- DTXSID
DTXSID80652324- EC Number
- 829-792-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 279.2 · 279.2±32.0 °C(Predicted)
- Density
- 1.719 · 1.719±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.67 · -1.67±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers34 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
南京修合医药科技有限公司19848384152 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
熵哲(兰州)生物医药科技有限公司18119421752 13919408782
上海毓川医药科技有限公司02161555100
斯派螺（武汉）药物研发有限公司[email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
上海篆乾生物科技有限公司15721176654;15710104046 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
湖南阿斯迪康药业有限公司18274983040 · [email protected]
江苏乾宇分子科技有限公司18136353590; 18136353590 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
7 records
Compound notes
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