Methyl 2-amino-5-fluorobenzoate supplier

Name
2-Amino-5-fluorobenzoic acid methyl ester
EINECS -0
CAS No. 319-24-4
Article Data22
CAS DataBase
Density 1.264 g/cm³
Solubility
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
Appearance
Safety 22-24/25
Risk Codes 52/53
Molecular Structure
Hazard Symbols
Synonyms Anthranilicacid, 5-fluoro-, methyl ester (7CI,8CI);2-Amino-5-fluorobenzoic acid methylester;Methyl 2-amino-5-fluorobenzoate;Methyl 5-fluoroanthranilate;
PSA 52.32000
LogP 1.77570

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

Product Name

2-Amino-5-fluorobenzoic acid methyl ester

Methyl 2-amino-5-fluorobenzoate Specification

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