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2-Fluoro-4-nitroaniline

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Name

2-Fluoro-4-nitroaniline

EINECS 206-719-8
CAS No. 369-35-7 Density 1.448 g/cm3
PSA 71.84000 LogP 2.42050
Solubility Slightly soluble in water. Melting Point 126-130°C
Formula C6H5FN2O2 Boiling Point 317.2 °C at 760 mmHg
Molecular Weight 156.116 Flash Point 145.6 °C
Transport Information N/A Appearance WHITE TO TAN POWDER, CRYSTALS OR CRYSTALLINE POWDER AND/OR CHUNKS
Safety 36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 369-35-7 (2-Fluoro-4-nitroaniline) Hazard Symbols HarmfulXn; IrritantXi
Synonyms

Aniline,2-fluoro-4-nitro- (6CI,8CI);(2-Fluoro-4-nitrophenyl)amine;2-Fluoro-4-nitroaniline;2-Fluoro-4-nitrobenzenamine;NSC 402982;

Article Data 15

2-Fluoro-4-nitroaniline Specification

The Benzenamine,2-fluoro-4-nitro-, with CAS registry number 369-35-7, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Amines; (3)C2 to C6; (4)Nitrogen Compounds; (5)Aniline series. It has the systematic name of 2-fluoro-4-nitroaniline. What's more, its EINECS is 206-719-8.

Physical properties of Benzenamine,2-fluoro-4-nitro-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.14; (6)ACD/BCF (pH 7.4): 10.14; (7)ACD/KOC (pH 5.5): 182.75; (8)ACD/KOC (pH 7.4): 182.75; (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: 1.603; (14)Molar Refractivity: 37.02 cm3; (15)Molar Volume: 107.7 cm3; (16)Polarizability: 14.67×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.448 g/cm3; (19)Flash Point: 145.6 °C; (20)Enthalpy of Vaporization: 55.85 kJ/mol; (21)Boiling Point: 317.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000392 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2-fluoro-4-nitro- is harmful by inhalation, in contact with skin and if swallowed.  When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc([N+]([O-])=O)ccc1N
(2)InChI: InChI=1/C6H5FN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
(3)InChIKey: LETNCFZQCNCACQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H5FN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
(5)Std. InChIKey: LETNCFZQCNCACQ-UHFFFAOYSA-N

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