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| CAS No.: | 284030-57-5 |
|---|---|
| Name: | 4-AMINO-2,3-DIFLUORO-5-NITRO-BENZOIC ACID |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H4F2N2O4 |
| Molecular Weight: | 218.117 |
| Synonyms: | 4-Amino-2,3-difluoro-5-nitrobenzoicacid; |
| Density: | 1.752 g/cm3 |
| Boiling Point: | 401.139ºC at 760 mmHg |
| Flash Point: | 196.402ºC |
| PSA: | 109.14000 |
| LogP: | 2.25780 |
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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).