1,2-Bis(4-bromophenyl)-2-hydroxyethanone
Basic information
- CAS
4254-18-6- Standard SMILES
O=C(c1ccc(Br)cc1)C(O)c1ccc(Br)cc1- InChIKey
NKUPPQSXKJCXSU-UHFFFAOYSA-N- Molecular formula
- C14H10Br2O2
- Average molar mass
- 370.03 g/mol
- Monoisotopic mass
- 367.90475
Names & identifiers
- Preferred name
- 1,2-Bis(4-bromophenyl)-2-hydroxyethanone
- IUPAC
- 1,2-bis(4-bromophenyl)-2-hydroxyethanone
- English name
- 4,4''-Dibromobenzoin
- Molecular formula
- C14H10Br2O2
- Molecular weight
- 370.04
Names & synonyms
1,2-bis(4-bromophenyl)-2-hydroxyethanoneRefChem:411362657-290-24,4'-dibromobenzoin4254-18-61,2-bis(4-bromophenyl)-2-hydroxyethan-1-oneEthanone,1,2-bis(4-bromophenyl)-2-hydroxy-Ethiprole Impurity 1Oprea1_7875092-Hydroxy-1,2-bis(4-bromophenyl)ethanoneMFCD004841284,4 inverted exclamation mark -Dibromobenzoin
Show more names
α-Hydroxy-α-(4-bromophenyl)-4'-bromoacetophenoneα-(4-Bromophenyl)-α-hydroxy-4'-bromoacetophenone
alpha-(4-Bromophenyl)-alpha-hydroxy-4'-bromoacetophenonealpha-Hydroxy-alpha-(4-bromophenyl)-4'-bromoacetophenone4,4''-DibromobenzoinSCHEMBL69238DTXSID80398098AKOS024327114ST012369SY280281
Database identifiers
- CAS
4254-18-6- PubChem CID
- 3938243
- DTXSID
DTXSID80398098- EC Number
- 657-290-2
- Nikkaji
- J80.777J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 97 · 97-99 °C
- Boiling point
- 483.5 · 483.5±40.0 °C(Predicted)
- Density
- 1.743 · 1.743±0.06 g/cm3(Predicted)
- pka
- 11.62 · 11.62±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
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]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Suppliers
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Related reactions
5 records
Compound notes
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