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| CAS No.: | 82420-34-6 |
|---|---|
| Name: | 4-BROMO-2-NITROBENZYL BROMIDE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H5Br2NO2 |
| Molecular Weight: | 294.93 |
| Synonyms: | Benzene,4-bromo-1-(1-bromomethyl)-2-nitro- (9CI);4-Bromo-1-(bromomethyl)-2-nitrobenzene; |
| Density: | 2.007 g/cm3 |
| Boiling Point: | 325.792 °C at 760 mmHg |
| Flash Point: | 150.834 °C |
| PSA: | 45.82000 |
| LogP: | 3.77540 |
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Specification
The Benzene, 4-bromo-1-(bromomethyl)-2-nitro-, with the CAS registry number 82420-34-6, is also known as 4-Bromo-2-nitrobenzyl bromide. This chemical's molecular formula is C7H5Br2NO2 and molecular weight is 294.93. What's more, its IUPAC name is 4-Bromo-1-(bromomethyl)-2-nitrobenzene.
Physical properties about Benzene, 4-bromo-1-(bromomethyl)-2-nitro- are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 166; (6)ACD/BCF (pH 7.4): 166; (7)ACD/KOC (pH 5.5): 1353; (8)ACD/KOC (pH 7.4): 1353; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 53.137 cm3; (15)Molar Volume: 146.952 cm3; (16)Polarizability: 21.065×10-24 cm3; (17)Surface Tension: 56.115 dyne/cm; (18)Density: 2.007 g/cm3; (19)Flash Point: 150.834 °C; (20)Enthalpy of Vaporization: 54.537 kJ/mol; (21)Boiling Point: 325.792 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1ccc(Br)cc1[N+]([O-])=O
(2) InChI: InChI=1/C7H5Br2NO2/c8-4-5-1-2-6(9)3-7(5)10(11)12/h1-3H,4H2
(3) InChIKey: NHSJBMQFFQYDGQ-UHFFFAOYAM