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29848-57-5

Basic Information
CAS No.: 29848-57-5
Name: 1-(Difluoromethyl)-4-nitrobenzene
Article Data: 25
Cas Database
Molecular Structure:
Molecular Structure of 29848-57-5 (1-(Difluoromethyl)-4-nitrobenzene)
Formula: C7H5F2NO2
Molecular Weight: 173.119
Synonyms: Benzene, 1-(difluoromethyl)-4-nitro-;
EINECS: N/A
Density: 1.339 g/cm3
Melting Point: 33-35 °C
Boiling Point: 240.7 °C at 760 mmHg
Flash Point: 111.9 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 45.82000
LogP: 3.05560
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Specification

The 1-(Difluoromethyl)-4-nitrobenzene, with the CAS registry number 29848-57-5, is also known as Benzene, 1-(difluoromethyl)-4-nitro-. This chemical's molecular formula is C7H5F2NO2 and molecular weight is 173.12. What's more, its IUPAC name is 1-(Difluoromethyl)-4-nitrobenzene.

Physical properties about 1-(Difluoromethyl)-4-nitrobenzene are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 34.23; (6)ACD/BCF (pH 7.4): 34.23; (7)ACD/KOC (pH 5.5): 436.42; (8)ACD/KOC (pH 7.4): 436.42; (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: 1.5; (14)Molar Refractivity: 38.04 cm3; (15)Molar Volume: 129.2 cm3; (16)Polarizability: 15.08×10-24 cm3; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.339 g/cm3; (19)Flash Point: 111.9 °C; (20)Enthalpy of Vaporization: 45.83 kJ/mol; (21)Boiling Point: 240.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0578 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)c1ccc([N+]([O-])=O)cc1
(2) InChI: InChI=1S/C7H5F2NO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H
(3) InChIKey: RMHPWPAKPAVHTB-UHFFFAOYSA-N