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Methyl 4-chloro-3-methylbenzoate

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Name

Methyl 4-chloro-3-methylbenzoate

EINECS N/A
CAS No. 91367-05-4 Density 1.186g/cm3
PSA 26.30000 LogP 2.43500
Solubility N/A Melting Point N/A
Formula C9H9ClO2 Boiling Point 247 °C at 760 mmHg
Molecular Weight 184.622 Flash Point 113.6 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 91367-05-4 (METHYL 4-CHLORO-3-METHYLBENZOATE) Hazard Symbols N/A
Synonyms

m-Toluicacid, 4-chloro-, methyl ester (7CI);4-Chloro-3-methylbenzoic acid methylester;Methyl 4-chloro-3-methylbenzoate;

Article Data 4

Methyl 4-chloro-3-methylbenzoate Specification

The Methyl 4-chloro-3-methylbenzoate with the cas number 91367-05-4 is also called Benzoic acid,4-chloro-3-methyl-, methyl ester. Its molecular formula is C9H9ClO2. This chemical belongs to the following product categories: (1)Aromatic Esters; (2)Benzoic acid; (3)Acids & Esters; (4)Chlorine Compounds.

The properties of the chemical are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 165.21; (6)ACD/BCF (pH 7.4): 165.21; (7)ACD/KOC (pH 5.5): 1346.71; (8)ACD/KOC (pH 7.4): 1346.71; (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: 1.525; (14)Molar Refractivity: 47.74 cm3; (15)Molar Volume: 155.5 cm3; (16)Polarizability: 18.92×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Enthalpy of Vaporization: 48.41 kJ/mol; (19)Vapour Pressure: 0.0263 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C(=O)OC)cc1C
(2)InChI: InChI=1/C9H9ClO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
(3)InChIKey: QOTGNXMPQNGYDM-UHFFFAOYAD

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