Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,6-Dicyanoaniline |
EINECS | N/A |
CAS No. | 63069-52-3 | Density | 1.261 g/cm3 |
PSA | 73.60000 | LogP | 1.59336 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Aminoisophthalonitrile;2-Aminobenzene-1,3-dicarbonitrile; |
Article Data | 4 |
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: 15.661×10-24 cm3; (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