Benzoic acid, 2-amino-4-chloro-5-fluoro- supplier

Name
BENZOIC ACID,2-AMINO-4-CHLORO-5-FLUORO-
EINECS
CAS No. 108288-16-0
Article Data2
CAS DataBase
Density 1.574 g/cm³
Solubility
Melting Point
Formula C₇H₅ClFNO₂
Boiling Point 350.096 °C at 760 mmHg
Molecular Weight 189.574
Flash Point 165.533 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-6-chloro-4-fluorobenzoic acid;
PSA 63.32000
LogP 2.34070

Benzoic acid, 2-amino-4-chloro-5-fluoro- Specification

The Benzoic acid, 2-amino-4-chloro-5-fluoro-, with the CAS registry number 108288-16-0, is also known as 3-Amino-6-chloro-4-fluorobenzoic acid. This chemical's molecular formula is C₇H₅ClFNO₂ and molecular weight is 189.5715. What's more, its systematic name is called 5-Amino-2-chloro-4-fluorobenzoic acid.

Physical properties about Benzoic acid, 2-amino-4-chloro-5-fluoro- are: (1)ACD/LogP: 1.97; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.32 Å²; (11)Index of Refraction: 1.62; (12)Molar Refractivity: 42.308 cm³; (13)Molar Volume: 120.404 cm³; (14)Polarizability: 16.772×10^-24 cm³; (15)Surface Tension: 62.271 dyne/cm; (16)Density: 1.574 g/cm³; (17)Flash Point: 165.533 °C; (18)Enthalpy of Vaporization: 62.754 kJ/mol; (19)Boiling Point: 350.096 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(N)c(F)cc1Cl
(2) InChI: InChI=1/C7H5ClFNO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
(3) InChIKey: GANBUJGJERTPPV-UHFFFAOYAO

Product Name

BENZOIC ACID,2-AMINO-4-CHLORO-5-FLUORO-

Benzoic acid, 2-amino-4-chloro-5-fluoro- Specification

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