2-Amino-4,6-difluorobenzoic acid supplier

Name
2-AMINO-4,6-DIFLUOROBENZOIC ACID
EINECS
CAS No. 126674-77-9
Article Data6
CAS DataBase
Density 1.537g/cm³
Solubility
Melting Point
Formula C₇H₅F₂NO₂
Boiling Point 305.752 °C at 760 mmHg
Molecular Weight 173.119
Flash Point 138.714 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Amino-4,6-difluorobenzoicacid;4,6-Difluoroanthranilic acid;
PSA 63.32000
LogP 1.82640

2-Amino-4,6-difluorobenzoic acid 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.

Product Name

2-AMINO-4,6-DIFLUOROBENZOIC ACID

2-Amino-4,6-difluorobenzoic acid Specification

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