4-Aminophthalonitrile

Molecule structure of 1,2-Benzenedicarbonitrile, 4-amino- (CAS NO.56765-79-8):

IUPAC Name: 4-Aminobenzene-1,2-dicarbonitrile 
Molecular Weight: 143.1454 g/mol
Molecular Formula: C₈H₅N₃
Density: 1.26 g/cm³ 
Melting Point: 179-181 °C(lit.)
Boiling Point: 414.8 °C at 760 mmHg
Flash Point: 204.7 °C
Index of Refraction: 1.612
Molar Refractivity: 39.5 cm³
Molar Volume: 113.5 cm³
Polarizability: 15.66×10^-24 cm³
Surface Tension: 70.2 dyne/cm 
Enthalpy of Vaporization: 66.78 kJ/mol
Vapour Pressure: 4.34E-07 mmHg at 25 °C 
Water Solubility: insoluble
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Exact Mass: 143.048347
MonoIsotopic Mass: 143.048347
Canonical SMILES: C1=CC(=C(C=C1N)C#N)C#N
InChI: InChI=1S/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2
InChIKey: RRCAJFYQXKPXOJ-UHFFFAOYSA-N
EINECS: 260-370-6
Product Categories: Aromatic Nitriles; Phthalonitriles & Naphthalonitriles; Phthalonitriles (Building Blocks for Phthalocyanines); Functional Materials

Hazard Codes: T, Xi
Risk Statements: 24/25-36/37/38 
S24/25:Avoid contact with skin and eyes. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Safety Statements: 45-36/37-28A-22-36-26 
R45:May cause cancer. 
R36/37:Irritating to eyes and respiratory system. 
R28:Very toxic if swallowed. 
R22:Harmful if swallowed. 
R36:Irritating to eyes. 
R26:Very toxic by inhalation.
RIDADR: 3439
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III 

 1,2-Benzenedicarbonitrile, 4-amino- (CAS NO.56765-79-8) is also named as 3,4-dicyanoaniline; 4-aminophthalonitrile ; 4-amino-1,2-benzenedicarbonitrile ; 4-amino-2-benzenedicarbonitrile ; 3,4-dicyanoanline;4-aminophtalonitrile ; 3,4-dicyanoaniline4-amino-1,2-benzenedicarbonitrile . 1,2-Benzenedicarbonitrile, 4-amino- (CAS NO.56765-79-8) is orange crystalline powder.