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Methyl 2-amino-5-fluorobenzoate

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Name

Methyl 2-amino-5-fluorobenzoate

EINECS -0
CAS No. 319-24-4 Density 1.264 g/cm3
PSA 52.32000 LogP 1.77570
Solubility N/A Melting Point 34-37 °C
Formula C8H8FNO2 Boiling Point 265.3 °C at 760 mmHg
Molecular Weight 169.155 Flash Point 114.2 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes 52/53
Molecular Structure Molecular Structure of 319-24-4 (2-Amino-5-fluorobenzoic acid methyl ester) Hazard Symbols N/A
Synonyms

Anthranilicacid, 5-fluoro-, methyl ester (7CI,8CI);2-Amino-5-fluorobenzoic acid methylester;Methyl 2-amino-5-fluorobenzoate;Methyl 5-fluoroanthranilate;

Article Data 22

Methyl 2-amino-5-fluorobenzoate Specification

The IUPAC name of Methyl 2-amino-5-fluorobenzoate is methyl 2-amino-5-fluorobenzoate. With the CAS registry number 319-24-4, it is also named as 2-Amino-5-fluorobenzoic acid methyl ester. The product's categories are Benzoic acid; Esters; Phenyls & Phenyl-Het. In addition, its molecular formula is C8H8FNO2 and molecular weight is 169.15. Besides, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. 

The other characteristics of Methyl 2-amino-5-fluorobenzoate can be summarized as: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 43.08; (6)ACD/BCF (pH 7.4): 43.11; (7)ACD/KOC (pH 5.5): 514.5; (8)ACD/KOC (pH 7.4): 514.81; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 3; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 42.25 cm3; (14)Molar Volume: 133.8 cm3; (15)Surface Tension: 44.2 dyne/cm; (16)Density: 1.264 g/cm3; (17)Flash Point: 114.2 °C; (18)Melting Point: 34-37 °C; (19)Enthalpy of Vaporization: 50.32 kJ/mol; (20)Boiling Point: 265.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00925 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC)c1cc(F)ccc1N
(2)InChI:InChI=1/C8H8FNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
(3)InChIKey:PUDDYSBKCDKATP-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C8H8FNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
(5)Std. InChIKey:PUDDYSBKCDKATP-UHFFFAOYSA-N

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