Benzoicacid, 5-amino-2-fluoro-, methyl ester supplier

Name
METHYL 5-AMINO-2-FLUOROBENZOATE
EINECS
CAS No. 56741-34-5
Article Data9
CAS DataBase
Density 1.264 g/cm³
Solubility
Melting Point 84-86°C
Formula C₈H₈FNO₂
Boiling Point 302.319 °C at 760 mmHg
Molecular Weight 169.155
Flash Point 136.638 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-2-fluorobenzoicacid methyl ester;Methyl 5-amino-2-fluorobenzoate;
PSA 52.32000
LogP 1.77570

Benzoicacid, 5-amino-2-fluoro-, methyl ester Specification

The CAS register number of Benzoicacid, 5-amino-2-fluoro-, methyl ester is 56741-34-5. It also can be called as 5-Amino-2-fluorobenzoic acid methyl ester and the systematic name about this chemical is methyl 5-amino-2-fluorobenzoate. The molecular formula about this chemical is C₈H₈FNO₂ and the molecular weight is 169.1530232.

Physical properties about Benzoicacid, 5-amino-2-fluoro-, methyl ester are: (1)ACD/LogP: 0.88; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 75; (7)ACD/KOC (pH 7.4): 76; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 52.32Å²; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 42.256 cm³; (14)Molar Volume: 133.816 cm³; (15)Polarizability: 16.752x10^-24cm³; (16)Surface Tension: 44.223 dyne/cm; (17)Enthalpy of Vaporization: 54.253 kJ/mol; (18)Boiling Point: 302.319 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(N)cc1C(=O)OC
(2)InChI: InChI=1/C8H8FNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3
(3)InChIKey: ILVPFTMKCHREDJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H8FNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3
(5)Std. InChIKey: ILVPFTMKCHREDJ-UHFFFAOYSA-N

Product Name

METHYL 5-AMINO-2-FLUOROBENZOATE

Benzoicacid, 5-amino-2-fluoro-, methyl ester Specification

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