2-Bromo-1-phenylbutan-1-one
Basic information
- CAS
73908-28-8- Standard SMILES
CCC(Br)C(=O)c1ccccc1- InChIKey
NDHOJNYNXYLUCR-UHFFFAOYSA-N- Molecular formula
- C10H11BrO
- Average molar mass
- 227.1 g/mol
- Monoisotopic mass
- 225.99933
Names & identifiers
- Preferred name
- 2-Bromo-1-phenylbutan-1-one
- IUPAC
- 2-bromo-1-phenylbutan-1-one
- English name
- 2-bromobutyrophenone
- Molecular formula
- C10H11BrO
- Molecular weight
- 227.1
Names & synonyms
2-bromo-1-phenylbutan-1-oneDTXSID20995045RefChem:466109DTXCID301422074972-321-2877-35-0ALPHA-BROMOBUTYROPHENONE2-bromobutyrophenone2-bromo-3-methylpropiophenone73908-28-8a-Bromobutyrophenone1-Benzoyl-1-bromopropane; 1-Phenyl-2-bromo-1-butanone; 2-Bromo-1-phenyl-1-butanone; 2-Bromobutyrophenone; NSC 115003
Show more names
α-Bromobutyrophenone1-Butanone, 2-bromo-1-phenyl-2-BROMO-1-PHENYLBUTAN-1-ONE(WXG00017)
NSC1150031-Propanone,2-bromo-1-(3-methylphenyl)-1-phenyl-2-bromo-1-butanone2-bromo-1-phenyl-1-butanoneSCHEMBL23366702-bromo-1-phenyl-butan-1-oneNDHOJNYNXYLUCR-UHFFFAOYSA-NAAA87735
Database identifiers
- CAS
73908-28-8、877-35-0- PubChem CID
- 52696
- DTXSID
DTXSID20995045- EC Number
- 972-321-2
- Nikkaji
- J859.546A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 36 °C · 36 °C
- Boiling point
- 145 · 145-147 °C(Press: 14 Torr)
- Density
- 1.3724 g/cm3 · 1.3724 g/cm3(Temp: 13.260009765625 °C)
- storage temp.
- Refrigerator
- solubility
- Chloroform, Dichloromethane, Methanol
- form
- Oil
- color
- Pale Yellow
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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
3 records
Compound notes
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