Benzoic acid,2-amino-4-fluoro-, ethyl ester supplier

Name
ETHYL 2-AMINO-4-FLUOROBENZOATE
EINECS
CAS No. 117324-05-7
Article Data4
CAS DataBase
Density 1.219 g/cm³
Solubility
Melting Point
Formula C₉H₁₀FNO₂
Boiling Point 271.243 °C at 760 mmHg
Molecular Weight 183.182
Flash Point 117.844 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-4-fluorobenzoicacid ethyl ester;Ethyl 2-amino-4-fluorobenzoate;
PSA 52.32000
LogP 2.16580

Benzoic acid,2-amino-4-fluoro-, ethyl ester Specification

The Benzoic acid, 2-amino-4-fluoro-, ethyl ester has CAS registry number 117324-05-7. It belongs to the product categories of Esters; Phenyls & Phenyl-Het. This chemical's molecular formula is C₉H₁₀FNO₂ and molecular weight is 183.18. What's more, its systematic name is called Ethyl 2-amino-4-fluorobenzoate.

Physical properties about Benzoic acid, 2-amino-4-fluoro-, ethyl ester are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 122; (6)ACD/BCF (pH 7.4): 122; (7)ACD/KOC (pH 5.5): 1087; (8)ACD/KOC (pH 7.4): 1087; (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)Surface Tension: 42.967 dyne/cm; (17)Density: 1.219 g/cm³; (18)Flash Point: 117.844 °C; (19)Enthalpy of Vaporization: 50.947 kJ/mol; (20)Boiling Point: 271.243 °C at 760 mmHg; (21)Vapour Pressure: 0.007 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccc(F)cc1N
(2) InChI: InChI=1/C9H10FNO2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2,11H2,1H3
(3) InChIKey: OTJQWSLMOCZLGQ-UHFFFAOYAK

Product Name

ETHYL 2-AMINO-4-FLUOROBENZOATE

Benzoic acid,2-amino-4-fluoro-, ethyl ester Specification

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