2,6-Dimethyl-4-fluorobenzoic acid supplier

Name
2,6-Dimethyl-4-fluorobenzoic acid
EINECS
CAS No. 16633-50-4
Article Data6
CAS DataBase
Density 1.212 g/cm³
Solubility
Melting Point
Formula C₉H₉FO₂
Boiling Point 278.36 °C at 760 mmHg
Molecular Weight 168.168
Flash Point 122.148 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms benzoic acid, 4-fluoro-2,6-dimethyl-
PSA 37.30000
LogP 2.14070

2,6-Dimethyl-4-fluorobenzoic acid Specification

The 2,6-Dimethyl-4-fluorobenzoic acid is an organic compound with the formula C₉H₉FO₂. The systematic name of this chemical is 4-Fluoro-2,6-dimethylbenzoic acid. With the CAS registry number 16633-50-4, it is also named as Benzoic acid, 4-fluoro-2,6-dimethyl-. The product's categories are Carboxylic Acids; Phenyls and Phenyl-Het; Benzoic acid; Carboxylic Acids; Phenyls and Phenyl-Het. Besides, its molecular weight is 168.16.

Physical properties about 2,6-Dimethyl-4-fluorobenzoic acid are: (1)ACD/LogP: 3.00; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 37.3 Å²; (10)Index of Refraction: 1.53; (11)Molar Refractivity: 42.827 cm³; (12)Molar Volume: 138.723 cm³; (13)Polarizability: 16.978×10^-24 cm³; (14)Surface Tension: 41.368 dyne/cm; (15)Density: 1.212 g/cm³; (16)Flash Point: 122.148 °C; (17)nthalpy of Vaporization: 54.607 kJ/mol; (18)Boiling Point: 278.36 °C at 760 mmHg; (19)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H9FO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
(2)InChIKey: PQYFAAZGSGZNGG-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C9H9FO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
(4)Std. InChIKey: PQYFAAZGSGZNGG-UHFFFAOYSA-N

Product Name

2,6-Dimethyl-4-fluorobenzoic acid

2,6-Dimethyl-4-fluorobenzoic acid Specification

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