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

Name
METHYL 2-AMINO-3-TRIFLUOROMETHYLBENZOATE
EINECS
CAS No. 64321-95-5
Article Data5
CAS DataBase
Density 1.343 g/cm³
Solubility
Melting Point
Formula C₉H₈F₃NO₂
Boiling Point 262.1 °C at 760 mmHg
Molecular Weight 219.163
Flash Point 112.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-amino-3-(trifluoromethyl)benzoate;
PSA 52.32000
LogP 2.65540

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

Product Name

METHYL 2-AMINO-3-TRIFLUOROMETHYLBENZOATE

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

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