Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 3-chloro-4-methylbenzoate |
EINECS | N/A |
CAS No. | 56525-63-4 | Density | 1.186 cm3 |
PSA | 26.30000 | LogP | 2.43500 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
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; |
Article Data | 8 |
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