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83506-93-8

Basic Information
CAS No.: 83506-93-8
Name: Benzoicacid, 2-amino-4,5-difluoro-
Molecular Structure:
Molecular Structure of 83506-93-8 (Benzoicacid, 2-amino-4,5-difluoro-)
Formula: C7H5F2NO2
Molecular Weight: 173.12
Synonyms: 2-Amino-4,5-difluorobenzoicacid;4,5-Difluoro-2-aminobenzoic acid;4,5-Difluoroanthranilic acid;
EINECS: 627-164-1
Density: 1.536 g/cm3
Melting Point: 181-185 °C
Boiling Point: 326.8 °C at 760 mmHg
Flash Point: 151.4 °C
Solubility:
Appearance: gray powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 63.32000
LogP: 1.82640
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  • Benzoic acid, 2-amino-4,5-difluoro-

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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