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| CAS No.: | 6425-66-7 |
|---|---|
| Name: | 1,2-BIS(BROMOMETHYL)-4-NITROBENZENE |
| Article Data: | 42 |
| Molecular Structure: | |
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| Formula: | C8H7Br2NO2 |
| Molecular Weight: | 308.957 |
| Synonyms: | 3,4-Bis(bromomethyl)nitrobenzene;a,a'-Dibromo-4-nitro-o-xylene;1,2-Bis(bromomethyl)-4-nitrobenzene;o-Xylene, a,a'-dibromo-4-nitro- (7CI,8CI); |
| Density: | 1.928 g/cm3 |
| Boiling Point: | 384.562 °C at 760 mmHg |
| Flash Point: | 186.377 °C |
| PSA: | 45.82000 |
| LogP: | 3.90780 |
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- Total:24 Page 1 of 1 1
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Specification
The Benzene,1,2-bis(bromomethyl)-4-nitro-, with the CAS registry number 6425-66-7, has the molecular formula C8H7Br2NO2. Besides, its molecular weight is 308.95. Its systematic name is called 1,2-bis(bromomethyl)-4-nitrobenzene.
Physical properties of Benzene,1,2-bis(bromomethyl)-4-nitro-: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 238; (5)ACD/BCF (pH 7.4): 238; (6)ACD/KOC (pH 5.5): 1751; (7)ACD/KOC (pH 7.4): 1751; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.645; (11)Molar Refractivity: 58.095 cm3; (12)Molar Volume: 160.259 cm3; (13)Surface Tension: 57.161 dyne/cm; (14)Density: 1.928 g/cm3; (15)Flash Point: 186.377 °C; (16)Enthalpy of Vaporization: 60.847 kJ/mol; (17)Boiling Point: 384.562 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cc(ccc1CBr)[N+]([O-])=O
(2)InChI: InChI=1/C8H7Br2NO2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H,4-5H2
(3)InChIKey: MZEFZKJSWNPTPL-UHFFFAOYAW