3,4-Dibromo-4-phenyl-2-butanone
Basic information
- CAS
6310-44-7- Standard SMILES
CC(=O)C(Br)C(Br)c1ccccc1- InChIKey
DQQMRIMUYWACAY-UHFFFAOYSA-N- Molecular formula
- C10H10Br2O
- Average molar mass
- 305.99 g/mol
- Monoisotopic mass
- 303.90984
Names & identifiers
- Preferred name
- 3,4-Dibromo-4-phenyl-2-butanone
- IUPAC
- 3,4-dibromo-4-phenylbutan-2-one
- English name
- 3,4-DIBROMO-4-PHENYL-2-BUTANONE
- Molecular formula
- C10H10Br2O
- Molecular weight
- 305.99
Names & synonyms
3,4-dibromo-4-phenyl-2-butanone6310-44-7DTXSID20285377RefChem:485846DTXCID40236528654-414-73,4-dibromo-4-phenylbutan-2-oneNSC415952-Butanone, 3,4-dibromo-4-phenyl-SCHEMBL3503783SCHEMBL28795671DQQMRIMUYWACAY-UHFFFAOYSA-N
Show more names
3,4-DIBROMO-4-PHENYL-BUTAN-2-ONE
NSC 41595NSC-41595AKOS015967067AD-266/40897092
Database identifiers
- CAS
6310-44-7- PubChem CID
- 237771
- DTXSID
DTXSID20285377- EC Number
- 654-414-7
- Nikkaji
- J398.209B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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