1-(4-Bromophenyl)-2,2-dihydroxyethanone
Basic information
- CAS
80352-42-7- Standard SMILES
O=C(c1ccc(Br)cc1)C(O)O- InChIKey
ILCZYZUBDFQDDB-UHFFFAOYSA-N- Molecular formula
- C8H7BrO3
- Average molar mass
- 231.04 g/mol
- Monoisotopic mass
- 229.95786
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-2,2-dihydroxyethanone
- IUPAC
- 1-(4-bromophenyl)-2,2-dihydroxyethanone
- English name
- 4-Bromophenylglyoxal hydrate
- Molecular formula
- C8H7BrO3
- Molecular weight
- 231.04
Names & synonyms
1-(4-bromophenyl)-2,2-dihydroxyethanone1-(4-bromophenyl)-2,2-dihydroxyethan-1-oneMFCD00021851Ethanone, 1-(4-bromophenyl)-2,2-dihydroxy-NSC152032SCHEMBL29003581DTXSID501001179ALBB-025848AKOS002787564CS-W021402NSC-152032ST104262
Show more names
4-Bromophenylglyoxal4-BROMOPHENYLGLYOXAL HYDRATE4-Bromophenylglyoxal hydrate 95%4-BROMOPHENYLGLYOXAL HYDRATE, 95+%(4-Bromophenyl)(oxo)acetaldehyde hydrate
1-(4-bromophenyl)-2,2-dihydroxy-ethanoneDB-075674CS-0369621ST45029007O10477
Database identifiers
- CAS
80352-42-7- PubChem CID
- 289780
- DTXSID
DTXSID501001179- Nikkaji
- J3.177.266D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 132 °C · 132°C
- Boiling point
- 340 · 340.0±32.0 °C(Predicted)
- Density
- 1.743 · 1.743±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 10.42 · 10.42±0.41(Predicted)
- color
- Off White
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 501 · P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2912190090 · 2912190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2912190090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H314
- Precautionary statements
- P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
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Compound notes
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