Benzoic acid,2-fluoro-6-hydroxy-, methyl ester supplier

Name
METHYL 2-FLUORO-6-HYDROXYBENZOATE
EINECS
CAS No. 72373-81-0
Article Data8
CAS DataBase
Density 1.309 g/cm³
Solubility
Melting Point 71°C
Formula C₈H₇FO₃
Boiling Point 235.4 °C at 760 mmHg
Molecular Weight 170.14
Flash Point 96.1 °C
Transport Information
Appearance Brown or red oil
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Fluoro-6-hydroxybenzoicacid methyl ester;Methyl 2-fluoro-6-hydroxybenzoate;Methyl 6-fluorosalicylate;Benzoic acid, 2-fluoro-6-hydroxy-, methyl ester;
PSA 46.53000
LogP 1.31790

Benzoic acid,2-fluoro-6-hydroxy-, methyl ester Specification

The Benzoic acid,2-fluoro-6-hydroxy-, methyl ester, with the CAS registry number 72373-81-0, has the systematic name of methyl 2-fluoro-6-hydroxybenzoate. It belongs to the product category of Benzoic acid. And the molecular formula of the chemical is C₈H₇FO₃.

The characteristics of Benzoic acid,2-fluoro-6-hydroxy-, methyl ester are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 38.05; (6)ACD/BCF (pH 7.4): 36.48; (7)ACD/KOC (pH 5.5): 470.73; (8)ACD/KOC (pH 7.4): 451.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 39.9 cm³; (15)Molar Volume: 129.9 cm³; (16)Polarizability: 15.81×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.309 g/cm³; (19)Flash Point: 96.1 °C; (20)Enthalpy of Vaporization: 49.13 kJ/mol; (21)Boiling Point: 235.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0328 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1c(F)cccc1O
(2)InChI: InChI=1/C8H7FO3/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,10H,1H3
(3)InChIKey: ZSIIFQFGYNHHOP-UHFFFAOYAW

Product Name

METHYL 2-FLUORO-6-HYDROXYBENZOATE

Benzoic acid,2-fluoro-6-hydroxy-, methyl ester Specification

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