Benzoic acid,4-fluoro-3-methyl-, methyl ester supplier

Name
Methyl 4-fluoro-3-methylbenzoate
EINECS
CAS No. 180636-50-4
Article Data5
CAS DataBase
Density 1.137 g/cm³
Solubility
Melting Point
Formula C₉H₉FO₂
Boiling Point 219.2 °C at 760 mmHg
Molecular Weight 168.168
Flash Point 84.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Fluoro-3-methylbenzoic acid methyl ester;Methyl 4-fluoro-3-methylbenzoate;
PSA 26.30000
LogP 1.92070

Benzoic acid,4-fluoro-3-methyl-, methyl ester Specification

The Benzoic acid,4-fluoro-3-methyl-, methyl ester, with the CAS registry number 180636-50-4, is also known as 4-Fluoro-3-methylbenzoic acid methyl ester. This chemical's molecular formula is C₉H₉FO₂ and molecular weight is 168.17. What's more, its systematic name is Methyl 4-fluoro-3-methylbenzoate and it belongs to the product categories of Blocks; Carboxes; Fluoro Compounds.

Physical properties of Benzoic acid,4-fluoro-3-methyl-, methyl ester are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 70.91; (6)ACD/BCF (pH 7.4): 70.91; (7)ACD/KOC (pH 5.5): 735.07; (8)ACD/KOC (pH 7.4): 735.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 42.84 cm³; (15)Molar Volume: 147.8 cm³; (16)Polarizability: 16.98×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.137 g/cm³; (19)Flash Point: 84.1 °C; (20)Enthalpy of Vaporization: 45.57 kJ/mol; (21)Boiling Point: 219.2 °C at 760 mmHg; (22)Vapour Pressure: 0.121 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(ccc1F)C(=O)OC
(2)InChI: InChI=1/C9H9FO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
(3)InChIKey: OCDIFIYFPFLAOU-UHFFFAOYSA-N

Product Name

Methyl 4-fluoro-3-methylbenzoate

Benzoic acid,4-fluoro-3-methyl-, methyl ester Specification

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