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CAS No.: | 773108-64-8 |
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Name: | 4-Amino-2,5-Difluorobenzoic Acid |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H5F2NO2 |
Molecular Weight: | 173.119 |
Synonyms: | 4-Amino-2,5-difluorobenzoicacid; |
Density: | 1.536 g/cm3 |
Boiling Point: | 316.5 °C at 760 mmHg |
Flash Point: | 145.2 °C |
PSA: | 63.32000 |
LogP: | 1.82640 |
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The Benzoic acid,4-amino-2,5-difluoro- is an organic compound with the formula C7H5F2NO2. The IUPAC name of this chemical is 4-amino-2,5-difluorobenzoic acid. With the CAS registry number 773108-64-8, the product's category is Fluorin-contained Benzoic Acid Series.
Physical properties about Benzoic acid,4-amino-2,5-difluoro- are: (1)ACD/LogP: 1.81; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.03; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 63.32 Å2; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 37.4 cm3; (12)Molar Volume: 112.6 cm3; (13)Polarizability: 14.82×10-24cm3; (14)Surface Tension: 56.9 dyne/cm; (15)Density: 1.536 g/cm3; (16)Flash Point: 145.2 °C; (17)Enthalpy of Vaporization: 58.89 kJ/mol; (18)Boiling Point: 316.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000172 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(O)=O)c(F)cc1N
(2)InChI: InChI=1/C7H5F2NO2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
(3)InChIKey: YOXMTBAQSNCVJQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H5F2NO2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
(5)Std. InChIKey: YOXMTBAQSNCVJQ-UHFFFAOYSA-N