4-Fluoro-2-methylbenzoic acid supplier

Name
4-Fluoro-2-methylbenzoic acid
EINECS 206-284-4
CAS No. 321-21-1
Article Data13
CAS DataBase
Density 1.258 g/cm³
Solubility Insoluble in water
Melting Point 168-172 °C(lit.)
Formula C₈H₇FO₂
Boiling Point 265.6 °C at 760 mmHg
Molecular Weight 154.141
Flash Point 114.5 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 26
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn, Xi
Synonyms o-Toluicacid, 4-fluoro- (8CI);2-Methyl-4-fluorobenzoic acid;4-Fluoro-o-toluic acid;Benzoic acid, 4-fluoro-2-methyl-;
PSA 37.30000
LogP 1.83230

4-Fluoro-2-methylbenzoic acid Specification

The Benzoic acid,4-fluoro-2-methyl-, with the CAS registry number 321-21-1, has the systematic name and IUPAC name of 4-fluoro-2-methylbenzoic acid. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Fluorin-contained Benzoic acid series; Benzoic acid; C8; Carbonyl Compounds; Carboxylic Acids. And the molecular formula of the chemical is C₈H₇FO₂.

The characteristics of Benzoic acid,4-fluoro-2-methyl- are as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.19; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 38 cm³; (15)Molar Volume: 122.4 cm³; (16)Polarizability: 15.06×10^-24cm³; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.258 g/cm³; (19)Flash Point: 114.5 °C; (20)Enthalpy of Vaporization: 53.2 kJ/mol; (21)Boiling Point: 265.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00452 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful if swallowed, and it also has risk of serious damage to eyes. Therefore, 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(O)c1c(cc(F)cc1)C
(2)InChI: InChI=1/C8H7FO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: KDXOONIQRUZGSY-UHFFFAOYAW

Product Name

4-Fluoro-2-methylbenzoic acid

4-Fluoro-2-methylbenzoic acid Specification

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