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CAS No.: | 1009349-32-9 |
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Name: | 1-(BROMOMETHYL)-2,5-DICHLORO-3-NITROBENZENE |
Molecular Structure: | |
Formula: | C7H4BrCl2NO2 |
Molecular Weight: | 284.92 |
Synonyms: | Benzene,1-(bromomethyl)-2,5-dichloro-3-nitro; |
Density: | 1.842 g/cm3 |
Boiling Point: | 346 °C at 760 mmHg |
Flash Point: | 163 °C |
PSA: | 45.82000 |
LogP: | 4.31970 |
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The Benzene,1-(bromomethyl)-2,5-dichloro-3-nitro- has CAS registry number 1009349-32-9. This chemical's molecular formula is C7H4BrCl2NO2 and molecular weight is 284.92. What's more, its systematic name is 1-(bromomethyl)-2,5-dichloro-3-nitro-benzene.
Physical properties of Benzene,1-(bromomethyl)-2,5-dichloro-3-nitro- are: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 45.82 Å2; (9)Index of Refraction: 1.632; (10)Molar Refractivity: 55.23 cm3; (11)Molar Volume: 154.6 cm3; (12)Polarizability: 21.89×10-24cm3; (13)Surface Tension: 56.1 dyne/cm; (14)Density: 1.842 g/cm3; (15)Flash Point: 163 °C; (16)Enthalpy of Vaporization: 56.68 kJ/mol; (17)Boiling Point: 346 °C at 760 mmHg; (18)Vapour Pressure: 0.000119 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(c(c1CBr)Cl)[N+](=O)[O-])Cl
(2)Std. InChI: InChI=1S/C7H4BrCl2NO2/c8-3-4-1-5(9)2-6(7(4)10)11(12)13/h1-2H,3H2
(3)Std. InChIKey: XPFMDGKKMHNURO-UHFFFAOYSA-N