2,6-Dicyanoaniline supplier | CasNO.63069-52-3

Name
2-AMINOISOPHTHALONITRILE
EINECS
CAS No. 63069-52-3
Article Data4
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point 94-96 °C
Formula C₈H₅N₃
Boiling Point 320.272 °C at 760 mmHg
Molecular Weight 143.148
Flash Point 147.495 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Aminoisophthalonitrile;2-Aminobenzene-1,3-dicarbonitrile;
PSA 73.60000
LogP 1.59336

2,6-Dicyanoaniline Specification

The 1,3-Benzenedicarbonitrile, 2-amino-, with the CAS registry number 63069-52-3, is also known as 2-Aminoisophthalonitrile. This chemical's molecular formula is C₈H₅N₃ and molecular weight is 143.15. What's more, its systematic name is 2-Aminobenzene-1,3-dicarbonitrile.

Physical properties of 1,3-Benzenedicarbonitrile, 2-amino- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 177; (8)ACD/KOC (pH 7.4): 177; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 73.6 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 39.505 cm³; (15)Molar Volume: 113.514 cm³; (16)Polarizability: 15.661×10^-24cm³; (17)Surface Tension: 70.243 dyne/cm; (18)Density: 1.261 g/cm³; (19)Flash Point: 147.495 °C; (20)Enthalpy of Vaporization: 56.193 kJ/mol; (21)Boiling Point: 320.272 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc(C#N)c1N
(2)InChI: InChI=1S/C8H5N3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,11H2
(3)InChIKey: OEVXGSUDJYKUQX-UHFFFAOYSA-N

Product Name

2-AMINOISOPHTHALONITRILE

2,6-Dicyanoaniline Specification

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