Basic information
- CAS
17870-85-8- Standard SMILES
O=C(O)c1ccc(Cl)cc1Nc1cccc(Cl)c1- InChIKey
GSDQYSSLIKJJOG-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2NO2
- Average molar mass
- 282.12 g/mol
- Monoisotopic mass
- 281.0010339
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3',5-Dichlorodiphenylamine-2-carboxylic acid
- IUPAC
- 4-chloro-2-(3-chloroanilino)benzoic acid
- English name
- 3',5-dichlorodiphenylamine-2-carboxylic acid
- Molecular formula
- C13H9Cl2NO2
- Molecular weight
- 282.12
Names & synonyms
DCDPC17870-85-8Dci-dpc4-chloro-2-[(3-chlorophenyl)amino]benzoic acid4-CHLORO-2-((3-CHLOROPHENYL)AMINO)BENZOIC ACID3',5-Dichlorodiphenylamine-2-carboxylic acidDTXSID00170530RefChem:90266DTXCID80930214-chloro-2-(3-chloroanilino)benzoic acidBenzoic acid, 4-chloro-2-[(3-chlorophenyl)amino]-Benzoic acid, 4-chloro-2-((3-chlorophenyl)amino)-
Show more names
Compound 1314-Chloro-2-(3-chlorophenylamino)benzoic acid2-[(3-Chlorophenyl)amino]-4-chlorobenzoic acid
dichloro-diphenylamine 2-carboxylic acid3',5-Dichlorodiphenylamine-2-carboxylateGTPL4173SCHEMBL6551809SCHEMBL31060427AKOS025149605DB-357957Q27076997
Database identifiers
- CAS
17870-85-8- PubChem CID
- 87345
- DTXSID
DTXSID00170530
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
LogP5.0
Physicochemical properties
- Melting point
- 196 · 196-198 °C
- Boiling point
- 420.2 · 420.2±45.0 °C(Predicted)
- Density
- 1.47 · 1.470±0.06 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.36(Predicted)
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…