1-(3-Amino-5-bromo-2-hydroxyphenyl)ethanone
Basic information
- CAS
70977-85-4- Standard SMILES
CC(=O)c1cc(Br)cc(N)c1O- InChIKey
AVBHUFWNYCSYBN-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.97384
Names & identifiers
- Preferred name
- 1-(3-Amino-5-bromo-2-hydroxyphenyl)ethanone
- IUPAC
- 1-(3-amino-5-bromo-2-hydroxyphenyl)ethanone
- English name
- 1-(3-amino-5-bromo-2-hydroxyphenyl)ethanone
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.07
Names & synonyms
1-(3-Amino-5-bromo-2-hydroxyphenyl)ethanone70977-85-41-(3-amino-5-bromo-2-hydroxyphenyl)ethan-1-oneMFCD12196330SCHEMBL1734943DTXSID90544645AVBHUFWNYCSYBN-UHFFFAOYSA-NVCA97785DA-033803'-Amino-5'-bromo-2'-hydroxy acetophenoneCS-03713963'-Amino-5'-bromo-2'-hydroxy acetophenone
Show more names
Ethanone, 1-(3-amino-5-bromo-2-hydroxyphenyl)-
1-(3-amino-5-bromo-2-hydroxy-phenyl)ethanoneEN300-1345761-(3-Amino-5-bromo-2-hydroxy-phenyl)-ethanoneA1-00151
Database identifiers
- CAS
70977-85-4- PubChem CID
- 13596194
- DTXSID
DTXSID90544645
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 99 · 99–102°C
- Boiling point
- 344.1 · 344.1±42.0 °C(Predicted)
- Density
- 1.668 · 1.668±0.06 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.23(Predicted)
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of 20% aqueous titanium trichloride solution on 5-bromo-2-hydroxy-3-nitroacetophenone in toluene, at r.t., in a sealed tube (31%).
Upstream & downstream products
Upstream raw materials
Related reactions
7 records
Compound notes
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