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4,5-Difluoro-2-nitroaniline

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Name

4,5-Difluoro-2-nitroaniline

EINECS N/A
CAS No. 78056-39-0 Density 1.555 g/cm3
PSA 71.84000 LogP 2.55960
Solubility N/A Melting Point 107-108 °C(lit.)
Formula C6H4F2N2O2 Boiling Point 308.115 °C at 760 mmHg
Molecular Weight 174.107 Flash Point 140.143 °C
Transport Information UN 2811 Appearance Golden to orange crystalline powder
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 78056-39-0 (4,5-DIFLUORO-2-NITROANILINE) Hazard Symbols IrritantXi
Synonyms

2-Nitro-4,5-difluoroaniline;3,4-Difluoro-6-nitroaniline;4,5-Difluoro-2-nitrophenylamine;NSC 402976;

Article Data 20

4,5-Difluoro-2-nitroaniline Specification

The 4,5-Difluoro-2-nitroaniline, with the CAS registry number 78056-39-0, is also called 4,5-difluoro-2-nitrophenylamine. And the molecular formula of this chemical is C6H4F2N2O2. It is a kind of golden to orange crystalline powder, and belongs to the following product categories: Aniline; Miscellaneous; Anilines, Amides & Amines; Fluorine Compounds; Nitro Compounds; Amines; C2 to C6; Nitrogen Compounds.

The physical properties of 4,5-Difluoro-2-nitroaniline are as following: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.898; (4)ACD/LogD (pH 7.4): 1.898; (5)ACD/BCF (pH 5.5): 16.307; (6)ACD/BCF (pH 7.4): 16.307; (7)ACD/KOC (pH 5.5): 256.708; (8)ACD/KOC (pH 7.4): 256.708; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.84 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 37.022 cm3; (15)Molar Volume: 111.975 cm3; (16)Polarizability: 14.677×10-24cm3; (17)Surface Tension: 53.503 dyne/cm; (18)Density: 1.555 g/cm3; (19)Flash Point: 140.143 °C; (20)Enthalpy of Vaporization: 54.877 kJ/mol; (21)Boiling Point: 308.115 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Uses of 4,5-Difluoro-2-nitroaniline: It can react with methanol to produce 4-Fluoro-5-methoxy-2-nitroaniline. This reaction will need reagent sodium metal. The reaction time is 3 hours with heating, and the yield is about 57%.

4,5-Difluoro-2-nitroaniline can react with methanol to produce 4-Fluoro-5-methoxy-2-nitroaniline

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, in case of contacting with eyes, you had better rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(cc(c1F)F)N(=O)=O)N
(2)InChI: InChI=1/C6H4F2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
(3)InChIKey: WDMCABATCGQAKK-UHFFFAOYAM

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