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2-Amino-4,5-difluorobenzoic acid

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Name

2-Amino-4,5-difluorobenzoic acid

EINECS 627-164-1
CAS No. 83506-93-8 Density 1.536 g/cm3
PSA 63.32000 LogP 1.82640
Solubility N/A Melting Point 181-185 °C
Formula C7H5F2NO2 Boiling Point 326.8 °C at 760 mmHg
Molecular Weight 173.119 Flash Point 151.4 °C
Transport Information N/A Appearance gray powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 83506-93-8 (2-Amino-4,5-difluorobenzoic acid) Hazard Symbols IrritantXi
Synonyms

2-Amino-4,5-difluorobenzoicacid;4,5-Difluoro-2-aminobenzoic acid;4,5-Difluoroanthranilic acid;

Article Data 8

2-Amino-4,5-difluorobenzoic acid Specification

The Benzoicacid, 2-amino-4,5-difluoro- is an organic compound with the formula C7H5F2NO2. The IUPAC name of this chemical is 2-amino-4,5-difluorobenzoic acid. With the CAS registry number 83506-93-8, it is also named as 4,5-Difluoroanthranilic Acid. The product's categories are Fluorin-contained Benzoic Acid Series; Fluorobenzene; Heterocyclic/Aliphatic Series; Benzenes. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzoicacid, 2-amino-4,5-difluoro- are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1.13; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.88; (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: 29.54 Å2; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 37.4 cm3; (14)Molar Volume: 112.6 cm3; (15)Polarizability: 14.82×10-24cm3; (16)Surface Tension: 56.9 dyne/cm; (17)Density: 1.536 g/cm3; (18)Flash Point: 151.4 °C; (19)Enthalpy of Vaporization: 60.07 kJ/mol; (20)Boiling Point: 326.8 °C at 760 mmHg; (21)Vapour Pressure: 8.56E-05 mmHg at 25°C.

Uses of Benzoicacid, 2-amino-4,5-difluoro-: it can be used to produce 6,7-difluoro-3H-quinazolin-4-one at temperature of 210 °C. This reaction is a kind of Cycloaddition. The reaction time of 15 min. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(F)c(F)cc1N
(2)InChI: InChI=1/C7H5F2NO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12)
(3)InChIKey: DGOZIZVTANAGCA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H5F2NO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12)
(5)Std. InChIKey: DGOZIZVTANAGCA-UHFFFAOYSA-N

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