Methyl 3-chloro-4-methylbenzoate supplier

Name
Methyl 3-chloro-4-methylbenzoate
EINECS
CAS No. 56525-63-4
Article Data8
CAS DataBase
Density 1.186 cm³
Solubility
Melting Point 28-29 °C
Formula C₉H₉ClO₂
Boiling Point 254.3 °C at 760 mmHg
Molecular Weight 184.622
Flash Point 119 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms p-Toluicacid, 3-chloro-, methyl ester (7CI);3-Chloro-4-methylbenzoic acid methylester;Methyl 3-chloro-4-methylbenzoate;
PSA 26.30000
LogP 2.43500

Methyl 3-chloro-4-methylbenzoate Specification

The IUPAC name of this chemical is Methyl 3-chloro-4-methylbenzoate. With the CAS registry number 56525-63-4, it is also named as Benzoic acid,3-chloro-4-methyl-,methyl ester. In addition, the formula is C₉H₉ClO₂ and the molecular weight is 184.62. It belongs to the classes of Esters and Phenyls & Phenyl-Het. And it is a irritant chemical.

Physical properties about this chemical are: (1) ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 47.74 cm³; (9)Molar Volume: 155.5 cm³; (10)Polarizability: 18.92 ×10^-24cm³; (11)Surface Tension: 37.7 dyne/cm; (12)Density: 1.186 g/cm³; (13)Flash Point: 119 °C; (14)Enthalpy of Vaporization: 49.17 kJ/mol; (15)Boiling Point: 254.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0174 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C(=O)OC)ccc1C
(2)InChI: InChI=1/C9H9ClO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
(3)InChIKey: KTFQDZCNPGFKAH-UHFFFAOYAJ

Product Name

Methyl 3-chloro-4-methylbenzoate

Methyl 3-chloro-4-methylbenzoate Specification

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