Benzoic acid, 3-amino-2-fluoro-, methyl ester supplier

Name
methyl 3-amino-2-fluorobenzoate
EINECS 629-868-4
CAS No. 1195768-18-3
Article Data12
CAS DataBase
Density 1.219 g/cm³
Solubility
Melting Point
Formula C₈H₈FNO₂
Boiling Point 295.978 °C at 760 mmHg
Molecular Weight 169.155
Flash Point 132.803 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 3-amino-2-fluorobenzoate;
PSA 52.32000
LogP 1.77570

Benzoic acid, 3-amino-2-fluoro-, methyl ester Specification

The Benzoic acid, 3-amino-2-fluoro-, methyl ester, with the CAS registry number 1195768-18-3, is also known as Ethyl 3-amino-2-fluorobenzoate. This chemical's molecular formula is C₈H₈FNO₂ and molecular weight is 169.00. What's more, its IUPAC name is called Methyl 3-amino-2-fluorobenzoate.

Physical properties about Benzoic acid, 3-amino-2-fluoro-, methyl ester are: (1)ACD/LogP: 1.581; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.36; (6)ACD/BCF (pH 7.4): 9.37; (7)ACD/KOC (pH 5.5): 172.56; (8)ACD/KOC (pH 7.4): 172.63; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 46.889 cm³; (15)Molar Volume: 150.323 cm³; (16)Polarizability: 18.588×10^-24cm³; (17)Surface Tension: 42.967 dyne/cm; (18)Density: 1.219 g/cm³; (19)Flash Point: 132.803 °C; (20)Enthalpy of Vaporization: 53.572 kJ/mol; (21)Boiling Point: 295.978 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cccc(c1F)N
(2) InChI: InChI=1S/C9H10FNO2/c1-2-13-9(12)6-4-3-5-7(11)8(6)10/h3-5H,2,11H2,1H3
(3) InChIKey: VYXXXMWMWZGHDK-UHFFFAOYSA-N

Product Name

methyl 3-amino-2-fluorobenzoate

Benzoic acid, 3-amino-2-fluoro-, methyl ester Specification

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