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5-Bromo-1,3-difluoro-2-nitrobenzene

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Name

5-Bromo-1,3-difluoro-2-nitrobenzene

EINECS N/A
CAS No. 147808-42-2 Density 1.890g/cm3
PSA 45.82000 LogP 3.15870
Solubility N/A Melting Point N/A
Formula C6H2BrF2NO2 Boiling Point 265.7 °C at 760 mmHg
Molecular Weight 237.988 Flash Point 114.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 147808-42-2 (5-Bromo-1,3-difluoro-2-nitrobenzene) Hazard Symbols N/A
Synonyms

5-Bromo-1,3-difluoro-2-nitrobenzene;

Article Data 17

5-Bromo-1,3-difluoro-2-nitrobenzene Specification

The 5-Bromo-1,3-difluoro-2-nitrobenzene, with CAS registry number 147808-42-2, has the systematic name of 5-bromo-1,3-difluoro-2-nitrobenzene. Besides this, it is also called benzene, 5-bromo-1,3-difluoro-2-nitro-. And the chemical formula of this chemical is C6H2BrF2NO2.

Physical properties of 5-Bromo-1,3-difluoro-2-nitrobenzene: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.33; (6)ACD/BCF (pH 7.4): 21.33; (7)ACD/KOC (pH 5.5): 311.06; (8)ACD/KOC (pH 7.4): 311.06; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 40.47 cm3; (15)Molar Volume: 125.8 cm3; (16)Polarizability: 16.04×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Enthalpy of Vaporization: 48.33 kJ/mol; (19)Vapour Pressure: 0.0148 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(Br)cc(F)c1[N+]([O-])=O
(2)InChI: InChI=1/C6H2BrF2NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
(3)InChIKey: ABAGKHWCTWMUDH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H2BrF2NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
(5)Std. InChIKey: ABAGKHWCTWMUDH-UHFFFAOYSA-N

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