Benzoic acid, 4-[(2-hydroxy-4,5-dimethylphenyl)azo]-
Basic information
- CAS
3810-51-3- Standard SMILES
Cc1cc(O)c(N=Nc2ccc(C(=O)O)cc2)cc1C- InChIKey
IRPMNRQJHGUWHK-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.10044231
Overview
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Names & identifiers
- Preferred name
- Benzoic acid, 4-[(2-hydroxy-4,5-dimethylphenyl)azo]-
- IUPAC
- 4-[(2-hydroxy-4,5-dimethylphenyl)diazenyl]benzoic acid
- English name
- 4-[(2-Hydroxy-4,5-dimethylphenyl)azo]benzoic acid
- Molecular formula
- C15H14N2O3
- Molecular weight
- 270.28
Names & synonyms
3810-51-3Benzoic acid, 4-[(2-hydroxy-4,5-dimethylphenyl)azo]-4-[(2-hydroxy-4,5-dimethylphenyl)diazenyl]benzoic acidAI3-50895MLS002637578Benzoic acid, p-((6-hydroxy-3,4-xylyl)azo)-Benzoic acid, p-[(6-hydroxy-3,4-xylyl)azo]-NSC-1576Benzoic acid, 4-((2-hydroxy-4,5-dimethylphenyl)azo)-Benzoic acid, 4-(2-(2-hydroxy-4,5-dimethylphenyl)diazenyl)-1,2-DIMETHYL-4-(P-CARBOXYPHENYLAZO)-5-HYDROXY BENZENENSC1576
Show more names
4-(6-HYDROXY-3,4-XYLYLAZO)BENZOIC ACID4-[(2-Hydroxy-4,5-dimethylphenyl)azo]benzoic acid
NSC 1576EMA7WKZ242Benzoic acid,4-xylyl)azo]-1,2-Dimethyl-4-(p-carboxyphenylazo)-5-hydroxybenzeneCHEMBL1714559DTXSID1063194IRPMNRQJHGUWHK-UHFFFAOYSA-NHMS3082K21
Database identifiers
- CAS
3810-51-3- PubChem CID
- 77423
- DTXSID
DTXSID1063194
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 508.868 · 508.868±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.248 · 1.248±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.776 · 3.776±0.10(predicted)
- FDA UNII
- 7 WKZ242 · EMA7WKZ242
- EPA Substance Registry System
- 4 · Benzoic acid, 4-[(2-hydroxy-4,5-dimethylphenyl)azo]- (3810-51-3)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-P501
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H319-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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