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| CAS No.: | 63069-52-3 |
|---|---|
| Name: | 2-AMINOISOPHTHALONITRILE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H5N3 |
| Molecular Weight: | 143.148 |
| Synonyms: | 2-Aminoisophthalonitrile;2-Aminobenzene-1,3-dicarbonitrile; |
| Density: | 1.261 g/cm3 |
| Melting Point: | 94-96 °C |
| Boiling Point: | 320.272 °C at 760 mmHg |
| Flash Point: | 147.495 °C |
| PSA: | 73.60000 |
| LogP: | 1.59336 |
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:26 Page 1 of 1 1
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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: 15.661×10-24 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