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Benzoic acid, 2-amino-3-(trifluoromethyl)-, methyl ester

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Name

Benzoic acid, 2-amino-3-(trifluoromethyl)-, methyl ester

EINECS N/A
CAS No. 64321-95-5 Density 1.343 g/cm3
PSA 52.32000 LogP 2.65540
Solubility N/A Melting Point N/A
Formula C9H8F3NO2 Boiling Point 262.1 °C at 760 mmHg
Molecular Weight 219.163 Flash Point 112.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 64321-95-5 (METHYL 2-AMINO-3-TRIFLUOROMETHYLBENZOATE) Hazard Symbols N/A
Synonyms

Methyl 2-amino-3-(trifluoromethyl)benzoate;

Article Data 5

Benzoic acid, 2-amino-3-(trifluoromethyl)-, methyl ester Specification

The Benzoic acid, 2-amino-3-(trifluoromethyl)-, methyl ester has the CAS registry number 64321-95-5. This chemical's molecular formula is C9H8F3NO2 and molecular weight is 219.16. What's more, its systematic name is methyl 2-amino-3-(trifluoromethyl)benzoate.

Physical properties of Benzoic acid, 2-amino-3-(trifluoromethyl)-, methyl ester are: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 641.59; (6)ACD/BCF (pH 7.4): 641.59; (7)ACD/KOC (pH 5.5): 3556.62; (8)ACD/KOC (pH 7.4): 3556.63; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 47.24 cm3; (15)Molar Volume: 163.1 cm3; (16)Polarizability: 18.72×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.343 g/cm3; (19)Flash Point: 112.3 °C; (20)Enthalpy of Vaporization: 49.98 kJ/mol; (21)Boiling Point: 262.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0111 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(C(=O)OC)c1N
(2)InChI: InChI=1S/C9H8F3NO2/c1-15-8(14)5-3-2-4-6(7(5)13)9(10,11)12/h2-4H,13H2,1H3
(3)InChIKey: COTQUWGKILPGMY-UHFFFAOYSA-N

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