Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

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

Related Products

Hot Products

Name

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

EINECS N/A
CAS No. 180636-50-4 Density 1.137 g/cm3
PSA 26.30000 LogP 1.92070
Solubility N/A Melting Point N/A
Formula C9H9FO2 Boiling Point 219.2 °C at 760 mmHg
Molecular Weight 168.168 Flash Point 84.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 180636-50-4 (Methyl 4-fluoro-3-methylbenzoate) Hazard Symbols IrritantXi
Synonyms

4-Fluoro-3-methylbenzoic acid methyl ester;Methyl 4-fluoro-3-methylbenzoate;

Article Data 5

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: 16.98×10-24 cm3; (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

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 180636-50-4