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| CAS No.: | 79603-03-5 |
|---|---|
| Name: | BENZONITRILE, 4-BROMO-2-NITRO- |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H3BrN2O2 |
| Molecular Weight: | 227.017 |
| Synonyms: | 4-Bromo-2-nitrobenzonitrile; |
| Density: | 1.81g/cm3 |
| Boiling Point: | 335.2 °C at 760 mmHg; |
| Flash Point: | 156.5°C |
| PSA: | 69.61000 |
| LogP: | 2.75218 |
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- Total:29 Page 1 of 1 1
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Specification
The Benzonitrile,4-bromo-2-nitro-, with the CAS registry number of 79603-03-5, is also known as 4-Bromo-1-cyano-2-nitrobenzene. This chemical's molecular formula is C7H3BrN2O2 and molecular weight is 227.017. What's more, both its IUPAC name and systematic name is 4-Bromo-2-nitrobenzonitrile.
Physical properties about the Benzonitrile,4-bromo-2-nitro- are: (1)ACD/LogP: 1.90 #; (2)of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 69.61 Å2; (7)Index of Refraction: 1.638; (8)Molar Refractivity: 45.07 cm3; (9)Molar Volume: 125.3 cm3; (10)Surface Tension: 69 dyne/cm; (11) Density: 1.81 g/cm3; (12)Flash Point: 156.5°C; (13) Enthalpy of Vaporization: 57.82 kJ/mol; (14)Boiling Point: 335.2 °C at 760 mmHg; (15)Vapour Pressure: 0.000122 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(cc(Br)cc1)[N+]([O-])=O
(2) InChI: InChI=1/C7H3BrN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H
(3) InChIKey: IOBYLOUUUJPZEO-UHFFFAOYAM