2-Nitroisophthalonitrile supplier

Name
2-NITROISOPHTHALONITRILE
EINECS
CAS No. 51762-72-2
Article Data2
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point 152 °C
Formula C₈H₃N₃O₂
Boiling Point 365.4 °C at 760 mmHg
Molecular Weight 173.131
Flash Point 174.8 °C
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Nitroisophthalonitrile;2-Nitrobenzene-1,3-dicarbonitrile;2,6-Dicyanonitrobenzene;
PSA 93.40000
LogP 1.86136

2-Nitroisophthalonitrile Specification

The 1,3-Benzenedicarbonitrile, 2-nitro-, with the CAS registry number 51762-72-2, is also known as 2-Nitroisophthalonitrile. This chemical's molecular formula is C₈H₃N₃O₂ and molecular weight is 173.13. What's more, its systematic name is 2-Nitrobenzene-1,3-dicarbonitrile.

Physical properties of 1,3-Benzenedicarbonitrile, 2-nitro- are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 42.11; (8)ACD/KOC (pH 7.4): 42.11; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 93.4 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 41.92 cm³; (15)Molar Volume: 122.1 cm³; (16)Polarizability: 16.61×10^-24cm³; (17)Surface Tension: 73.6 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 174.8 °C; (20)Enthalpy of Vaporization: 61.17 kJ/mol; (21)Boiling Point: 365.4 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc(C#N)c1N(=O)=O
(2)InChI: InChI=1S/C8H3N3O2/c9-4-6-2-1-3-7(5-10)8(6)11(12)13/h1-3H
(3)InChIKey: CODNNHCWSWXSFO-UHFFFAOYSA-N

Product Name

2-NITROISOPHTHALONITRILE

2-Nitroisophthalonitrile Specification

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