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2130-56-5

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Basic Information
CAS No.: 2130-56-5
Name: 4,4'-DIAMINOBIPHENYL-3,3'-DICARBOXYLIC ACID
Article Data: 16
Molecular Structure:
Molecular Structure of 2130-56-5 (4,4'-DIAMINOBIPHENYL-3,3'-DICARBOXYLIC ACID)
Formula: C14H12 N2 O4
Molecular Weight: 272.26
Synonyms: 3,3'-Biphenyldicarboxylicacid, 4,4'-diamino- (7CI,8CI); 3,3'-Benzidinedicarboxylic acid; 3,3'-Dicarboxy-4,4'-diaminobiphenyl;3,3'-Dicarboxybenzidine; 4,4'-Diamino-3,3'-biphenyldicarboxylic acid;5,5'-Bianthranilic acid; 5,5'-Dianthranilic acid; Benzidine-m,m'-dicarboxylicacid
EINECS: 218-348-9
Density: 1.476 g/cm3
Melting Point: 300°C
Boiling Point: 557.7 °C at 760 mmHg
Flash Point: 291.1 °C
Safety: Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 126.64000
LogP: 3.07680
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Chemistry

Molecule structure of 5,5-Bianthranilic acid (CAS NO.2130-56-5) :

IUPAC Name: 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid 
Molecular Weight: 272.25608 g/mol
Molecular Formula: C14H12N2O4
Density: 1.476 g/cm3 
Boiling Point: 557.7 °C at 760 mmHg
Flash Point: 291.1 °C 
Molar Volume: 184.3 cm3
Water Solubility: 131 mg/L
Polarizability: 29*10-24 cm3
Surface Tension: 83 dyne/cm 
Enthalpy of Vaporization: 88.34 kJ/mol
Vapour Pressure: 2.83E-13 mmHg at 25 °C 
Henry's Law Constant: 2.10E-20 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 5.80E-11 cm3/molecule-sec at 25 °C
XLogP3-AA: 2.3
H-Bond Donor: 4
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 272.079707
MonoIsotopic Mass: 272.079707
Topological Polar Surface Area: 127
Heavy Atom Count: 20
Complexity: 351
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(=O)O)C(=O)O)N
InChI: InChI=1S/C14H12N2O4/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)
InChIKey: IIQLVLWFQUUZII-UHFFFAOYSA-N
EINECS: 218-348-9

Toxicity Data With Reference

1.    

pic-esc 100 mmol/L

     MDMIAZ    Medycyna Doswiadczalna i Mikrobiologia. 31 (1979),11.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

 5,5-Bianthranilic acid (CAS NO.2130-56-5) is also called (1,1'-Biphenyl)-3,3'-dicarboxylic acid, 4,4'-diamino- ; 2-14-00-00345 (Beilstein Handbook Reference); 3,3'-Benzidinedicarboxylic acid ; 3,3'-Biphenyldicarboxylic acid, 4,4'-diamino-
3,3'-Dicarboxybenzidine ; 4,4'-Diamino-3,3'-biphenyldicarboxylic acid ; 5,5'-Dianthranilic acid .5,5-Bianthranilic acid (CAS NO.2130-56-5) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.