Basic information
- CAS
5398-24-3- Standard SMILES
CCC(Br)C(N)=O- InChIKey
AKSLRYGHJVUELA-UHFFFAOYSA-N- Molecular formula
- C4H8BrNO
- Average molar mass
- 166.02 g/mol
- Monoisotopic mass
- 164.97892598
Names & identifiers
- Preferred name
- 2-Bromobutanamide
- IUPAC
- 2-bromobutanamide
- English name
- 2-Bromobutyramide
- Molecular formula
- C4H8BrNO
- Molecular weight
- 166.02
Names & synonyms
2-bromobutanamideDTXSID90277880RefChem:467224DTXCID60229038847-491-55398-24-3Butanamide, 2-bromo-2-BROMOBUTYRAMIDEMFCD08235148bromobutyramideNSC4597SCHEMBL345755
Show more names
NSC 45972-bromobutylamide
SCHEMBL11147762SCHEMBL28777392ALBB-016211NSC-4597STL122203AKOS005738333AS-48403SY031102
Database identifiers
- CAS
5398-24-3- PubChem CID
- 220998
- DTXSID
DTXSID90277880- EC Number
- 847-491-5
- Nikkaji
- J2.310.667A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 74.1
Physicochemical properties
- Melting point
- 112 · 112-113 °C
- Boiling point
- 250.2 · 250.2±23.0 °C(Predicted)
- Density
- 1.524 · 1.524±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 14.86 · 14.86±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
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, 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_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers41 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
Related reactions
1 records
Compound notes
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