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Benzoic acid,4-amino-2,3-difluoro-5-nitro- (284030-57-5)

Identification
Name:Benzoic acid,4-amino-2,3-difluoro-5-nitro-
Synonyms:4-Amino-2,3-difluoro-5-nitrobenzoicacid;
CAS:284030-57-5
Molecular Formula: C7H4F2N2O4
Molecular Weight: 218.1144664
InChI: InChI=1/C7H4F2N2O4/c8-4-2(7(12)13)1-3(11(14)15)6(10)5(4)9/h1H,10H2,(H,12,13)
Molecular Structure: (C7H4F2N2O4) 4-Amino-2,3-difluoro-5-nitrobenzoicacid;
Properties
Flash Point: 401.139ºC at 760 mmHg
Boiling Point: 401.139ºC at 760 mmHg
Density:1.751
Refractive index:1.624
Specification:

The Systematic name about this chemical is 4-Amino-2,3-difluoro-5-nitrobenzoic acid. The cas register number of 4-Amino-2,3-difluoro-5-nitrobenzoic acid is 284030-57-5. It also can be called as Methyl 2,3,4-trifluoro-5-nitrobenzoate.

Physical properties about 4-Amino-2,3-difluoro-5-nitrobenzoic acid are: (1)ACD/LogP: 2.29; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 109.14Å2; (10)Index of Refraction: 1.624; (11)Molar Refractivity: 43.952 cm3; (12)Molar Volume: 124.504 cm3; (13)Surface Tension: 73.838 dyne/cm; (14)Density: 1.752 g/cm3; (15)Flash Point: 196.402 °C; (16)Enthalpy of Vaporization: 68.767 kJ/mol; (17)Boiling Point: 401.139 °C at 760 mmHg.

People can use the following data to convert to the molecule structure.
1.SMILES: Fc1c(cc(N(=O)=O)c(N)c1F)C(O)=O
2.InChI: InChI=1/C7H4F2N2O4/c8-4-2(7(12)13)1-3(11(14)15)6(10)5(4)9/h1H,10H2,(H,12,13) 
3.InChIKey: WXXHOWQPFHXRDY-UHFFFAOYAM
4.Std. InChI: InChI=1S/C7H4F2N2O4/c8-4-2(7(12)13)1-3(11(14)15)6(10)5(4)9/h1H,10H2,(H,12,13).

Flash Point: 401.139ºC at 760 mmHg
Safety Data
 

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