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2,4-Difluoro-6-nitroaniline

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Name

2,4-Difluoro-6-nitroaniline

EINECS N/A
CAS No. 364-30-7 Density 1.554 g/cm3
PSA 71.84000 LogP 2.55960
Solubility N/A Melting Point 85-87°C
Formula C6H4F2N2O2 Boiling Point 272.6 °C at 760 mmHg
Molecular Weight 174.107 Flash Point 118.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 364-30-7 (2,4-DIFLUORO-6-NITROANILINE) Hazard Symbols IrritantXi
Synonyms

Aniline,2,4-difluoro-6-nitro- (6CI,7CI,8CI);(2,4-Difluoro-6-nitrophenyl)amine;2,4-Difluoro-6-nitroaniline;2-Amino-3,5-difluoronitrobenzene;NSC 81335;

Article Data 5

2,4-Difluoro-6-nitroaniline Specification

The Benzenamine,2,4-difluoro-6-nitro-, with CAS registry number 364-30-7, belongs to the following product category: Miscellaneous. It has the systematic name of 2,4-difluoro-6-nitroaniline. Besides this, it is also called Aniline, 2,4-difluoro-6-nitro-. And the chemical formula of this chemical is C6H4F2N2O2.

Physical properties of Benzenamine,2,4-difluoro-6-nitro-: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 28.55; (6)ACD/BCF (pH 7.4): 28.55; (7)ACD/KOC (pH 5.5): 383.28; (8)ACD/KOC (pH 7.4): 383.28; (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: 118.7 °C; (20)Enthalpy of Vaporization: 51.09 kJ/mol; (21)Boiling Point: 272.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00603 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc([N+]([O-])=O)c(N)c(F)c1
(2)InChI: InChI=1/C6H4F2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
(3)InChIKey: WPEUQAOOZXFRKZ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H4F2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
(5)Std. InChIKey: WPEUQAOOZXFRKZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02612,

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