Methyl 3-fluoro-4-hydroxybenzoate supplier

Name
3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER
EINECS
CAS No. 403-01-0
Article Data24
CAS DataBase
Density 1.309 g/cm³
Solubility
Melting Point 91-93℃
Formula C₈H₇FO₃
Boiling Point 259.9 °C at 760 mmHg
Molecular Weight 170.14
Flash Point 111 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Fluoro-4-hydroxybenzoicacid methyl ester;Methyl 3-fluoro-4-hydroxybenzoate;
PSA 46.53000
LogP 1.31790

Methyl 3-fluoro-4-hydroxybenzoate Specification

The CAS register number of Methyl 3-fluoro-4-hydroxybenzoate is 403-01-0. It also can be called as 3-Fluoro-4-hydroxy benzoic acid methyl ester and the IUPAC name about this chemical is methyl 3-fluoro-4-hydroxybenzoate. The molecular formula about this chemical is C₈H₇FO₃ and the molecular weight is 170.14. It belongs to the following product categories, such as Blocks; Carboxes; FluoroCompounds; Pharmacetical and so on.

Physical properties about Methyl 3-fluoro-4-hydroxybenzoate are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.28; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 31.79; (5)ACD/BCF (pH 7.4): 10.88; (6)ACD/KOC (pH 5.5): 411.06; (7)ACD/KOC (pH 7.4): 140.7; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53Å²; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 39.9 cm³; (14)Molar Volume: 129.9 cm³; (15)Polarizability: 15.81x10^-24cm³; (16)Surface Tension: 43.7 dyne/cm; (17)Enthalpy of Vaporization: 51.76 kJ/mol; (18)Boiling Point: 259.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0078 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(=O)OC)ccc1O
(2)InChI: InChI=1/C8H7FO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
(3)InChIKey: IYUSGKSCDUJSKS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H7FO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
(5)Std. InChIKey: IYUSGKSCDUJSKS-UHFFFAOYSA-N

Product Name

3-FLUORO-4-HYDROXY-BENZOIC ACID METHYL ESTER

Methyl 3-fluoro-4-hydroxybenzoate Specification

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