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122129-79-7

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Basic Information
CAS No.: 122129-79-7
Name: 3,5-DIFLUORO-4-NITROANILINE
Article Data: 2
Molecular Structure:
Molecular Structure of 122129-79-7 (3,5-DIFLUORO-4-NITROANILINE)
Formula: C6H4F2N2O2
Molecular Weight: 174.107
Synonyms: 3,5-Difluoro-4-nitroaniline;3,5-Difluoro-4-nitrobenzenamine;
Density: 1.554 g/cm3
Melting Point: 179-181 °C
Boiling Point: 338.5 °C at 760 mmHg
Flash Point: 158.5 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 71.84000
LogP: 2.55960
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Specification

The Benzenamine,3,5-difluoro-4-nitro-, with the CAS registry number 122129-79-7, is also known as 3,5-Difluoro-4-nitrobenzenamine. This chemical's molecular formula is C6H4F2N2O2 and molecular weight is 174.1. What's more, its systematic name is 3,5-difluoro-4-nitroaniline.

Physical properties of Benzenamine,3,5-difluoro-4-nitro- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.69; (6)ACD/BCF (pH 7.4): 11.69; (7)ACD/KOC (pH 5.5): 202.23; (8)ACD/KOC (pH 7.4): 202.23; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 37.02 cm3; (15)Molar Volume: 111.9 cm3; (16)Polarizability: 14.67×10-24cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.554 g/cm3; (19)Flash Point: 158.5 °C; (20)Enthalpy of Vaporization: 58.18 kJ/mol; (21)Boiling Point: 338.5 °C at 760 mmHg; (22)Vapour Pressure: 9.79E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c([N+]([O-])=O)c(F)cc(N)c1
(2)InChI: InChI=1S/C6H4F2N2O2/c7-4-1-3(9)2-5(8)6(4)10(11)12/h1-2H,9H2
(3)InChIKey: RKBPGWQSTWNFRY-UHFFFAOYSA-N