Basic information
- Standard SMILES
O=C(CCCBr)c1ccccc1- InChIKey
AUWYVCBOBIRRGR-UHFFFAOYSA-N- Molecular formula
- C10H11BrO
- Average molar mass
- 227.1 g/mol
- Monoisotopic mass
- 225.99933
Names & identifiers
- Preferred name
- 4-Bromo-1-phenyl-1-butanone
- IUPAC
- 4-bromo-1-phenylbutan-1-one
- English name
- 4-bromobutyrophenone
- Molecular formula
- C10H11BrO
- Molecular weight
- 227.1
Names & synonyms
4-Bromobutyrophenone24070-52-84-bromo-1-phenyl-1-butanoneDTXSID50178804RefChem:1070381DTXCID70101295246-005-34-bromo-1-phenylbutan-1-one1-Butanone,4-bromo-1-phenyl-EINECS 246-005-3NSC132000SCHEMBL2116192
Show more names
γ-Bromobutyrophenone1-Phenyl-4-bromo-1-butanone1-Butanone, 4-bromo-1-phenyl-
NSC 132000NSC-132000DB-006728NS000275524 inverted exclamation mark -BromobutyrophenoneQ63391933
Database identifiers
- CAS
24070-52-8- PubChem CID
- 90356
- DTXSID
DTXSID50178804- EC Number
- 246-005-3
- Nikkaji
- J47.278F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 30 · 30-30.5 °C
- Boiling point
- 149 °C · 149 °C(Press: 11 Torr)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
赛纳斯特化学（欢迎点击联系）021-60343070
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
徐州博康化学科技股份有限公司051686297676 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
10 records
Linked notes
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