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Benzoicacid, 2-amino-4,6-difluoro- (126674-77-9)

Identification
Name:Benzoicacid, 2-amino-4,6-difluoro-
Synonyms:2-Amino-4,6-difluorobenzoicacid;4,6-Difluoroanthranilic acid;
CAS:126674-77-9
Molecular Formula: C7H5F2NO2
Molecular Weight: 173.12
InChI: InChI=1/C7H5F2NO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12)
Molecular Structure: (C7H5F2NO2) 2-Amino-4,6-difluorobenzoicacid;4,6-Difluoroanthranilic acid;
Properties
Density:1.536
Refractive index:1.578
Specification:

The 2-Amino-4,6-difluorobenzoic acid with cas registry number of 126674-77-9,  its IUPAC name and its  systematic name is the same, which is 2-amino-4,6-difluorobenzoic acid. Its sensitive is air sensitive. Its raw materials are Sodium hydroxide-->Hydrogen peroxide-->Hydroxylamine hydrochloride-->Chloral-->SODIUM SULFATE DECAHYDRATE-->3,5-Difluoroaniline.

Physical properties about this chemical are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.32 Å2; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 37.407 cm3; (14)Molar Volume: 112.663 cm3; (15)Polarizability: 14.829×10-24cm3; (16)Surface Tension: 56.942 dyne/cm; (17)Enthalpy of Vaporization: 57.676 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES:c1c(cc(c(c1N)C(=O)O)F)F;
(2)InChI:InChI=1/C7H5F2NO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12);
(3)InChIKey:TWSZCEBPTKBNBR-UHFFFAOYAE;
(4)Std. InChI:InChI=1S/C7H5F2NO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12);
(5)Std. InChIKey:TWSZCEBPTKBNBR-UHFFFAOYSA-N.

Sensitive: Air Sensitive
Safety Data
 

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