2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone
Basic information
- CAS
166442-35-9- Standard SMILES
CN(C)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)c(O)c1- InChIKey
PRRWAMBIGMTQIQ-UHFFFAOYSA-N- Molecular formula
- C16H14N2O6
- Average molar mass
- 330.29 g/mol
- Monoisotopic mass
- 330.08518617
Names & identifiers
- Preferred name
- 2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone
- IUPAC
- 2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitrobenzoic acid
- English name
- 2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone
- Molecular formula
- C16H14N2O6
- Molecular weight
- 330.29
Names & synonyms
166442-35-92'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone2'-CARBOXY-4-DIMETHYLAMINO-2-HYDROXY-4'NITROBENZOPHENONE2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitrobenzoic acidBenzoic acid, 2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitro-2-(4-Dimethylamino-2-hydroxybenzoyl)-5-nitrobenzoic AcidDTXSID40403031DB-251418
Database identifiers
- CAS
166442-35-9- PubChem CID
- 4415569
- DTXSID
DTXSID40403031
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Boiling point
- 595.6 · 595.6±50.0 °C(Predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- pka
- 2.79 · 2.79±0.22(Predicted)
Chemistry & industry
Applications
Uses2'-CARBOXY-4-DIMETHYLAMINO-2-HYDROXY-4'-NITROBENZOPHENONE is an intermediate used for the preparation of rhodamine derivatives as fluorescent labels.
Uses2'-CARBOXY-4-DIMETHYLAMINO-2-HYDROXY-4'-NITROBENZOPHENONE is Synthetic intermediat
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Related reactions
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Compound notes
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