5-[4-[[4-(3-Carboxy-4-chloroanilino)phenyl]-chloro-phenylmethyl]anilino]-2-chlorobenzoic acid

Base Information

• Chemical Name: 5-[4-[[4-(3-Carboxy-4-chloroanilino)phenyl]-chloro-phenylmethyl]anilino]-2-chlorobenzoic acid
• CAS No.: 143193-31-1
• Molecular Formula: C33H23 Cl3 N2 O4
• Molecular Weight: 617.91
• European Community (EC) Number: 630-816-8
• DSSTox Substance ID: DTXSID70396982
• Wikidata: Q82197970
• ChEMBL ID: CHEMBL500176
• Mol file: 143193-31-1.mol

Synonyms:143193-31-1;5-[4-[[4-(3-carboxy-4-chloroanilino)phenyl]-chloro-phenylmethyl]anilino]-2-chlorobenzoic acid;4,4'-bis-(3-Carboxy-4-chloroanilino)tritylium chloride;SBB057360;triphenylmethane derivative, 4;CHEMBL500176;SCHEMBL4645345;BDBM29332;DTXSID70396982;XBBQRUDAAHWPBS-UHFFFAOYSA-N;AKOS024288327;FT-0617011;4,4'-BIS(3-CARBOXY-4-CHLOROPHENYL-AMINO)TRITYL CHLORIDE;5,5'-(4,4'-(chloro(phenyl)methylene)bis(4,1-phenylene)bis(azanediyl))bis(2-chlorobenzoic acid);5-[4-[[4-(3-carboxy-4-chloro-anilino)phenyl]-chloro-phenyl-methyl]anilino]-2-chloro-benzoic acid

Chemical Property of 5-[4-[[4-(3-Carboxy-4-chloroanilino)phenyl]-chloro-phenylmethyl]anilino]-2-chlorobenzoic acid

Chemical Property:

• Boiling Point: 783.9±60.0 °C(Predicted)
• PKA: 2.66±0.25(Predicted)
• Flash Point: 427.9oC
• PSA: 98.66000
• Density: 1.453±0.06 g/cm3(Predicted)
• LogP: 9.55370
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 616.072340
• Heavy Atom Count: 42
• Complexity: 842

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)NC3=CC(=C(C=C3)Cl)C(=O)O)(C4=CC=C(C=C4)NC5=CC(=C(C=C5)Cl)C(=O)O)Cl