3,5-Dimethylbenzyl chloride supplier

Name
CHLOROMESITYLENE
EINECS
CAS No. 2745-54-2
Article Data14
CAS DataBase
Density 1.033 g/cm³
Solubility
Melting Point
Formula C₉H₁₁Cl
Boiling Point 218.7 °C at 760 mmHg
Molecular Weight 154.639
Flash Point 84.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Mesitylene,a-chloro- (7CI,8CI);1,3-Dimethyl-5-chloromethylbenzene;1-(Chloromethyl)-3,5-dimethylbenzene;a-Chloromesitylene;
PSA 0.00000
LogP 3.04220

3,5-Dimethylbenzyl chloride Specification

The 3,5-Dimethylbenzyl chloride is an organic compound with the formula C₉H₁₁Cl. The IUPAC name of this chemical is 1-(chloromethyl)-3,5-dimethylbenzene. With the CAS registry number 2745-54-2, it is also named as benzene, 1-(chloromethyl)-3,5-dimethyl-. Besides, it is used as chemical reagents, organic intermediates, fine chemicals, pharmaceutical research and development.

Physical properties about 3,5-Dimethylbenzyl chloride are: (1)ACD/LogP: 3.41; (2)ACD/LogD (pH 5.5): 3.41; (3)ACD/LogD (pH 7.4): 3.41; (4)ACD/BCF (pH 5.5): 228.75; (5)ACD/BCF (pH 7.4): 228.75; (6)ACD/KOC (pH 5.5): 1699.95; (7)ACD/KOC (pH 7.4): 1699.95; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.522; (10)Molar Refractivity: 45.66 cm³; (11)Molar Volume: 149.6 cm³; (12)Polarizability: 18.1×10^-24cm³; (13)Surface Tension: 32.6 dyne/cm; (14)Density: 1.033 g/cm³; (15)Flash Point: 84.3 °C; (16)Enthalpy of Vaporization: 43.66 kJ/mol; (17)Boiling Point: 218.7 °C at 760 mmHg; (18)Vapour Pressure: 0.183 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cc(cc(c1)C)C
(2)InChI: InChI=1/C9H11Cl/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6H2,1-2H3
(3)InChIKey: FYNVRRYQTHUESZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H11Cl/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6H2,1-2H3
(5)Std. InChIKey: FYNVRRYQTHUESZ-UHFFFAOYSA-N

Product Name

CHLOROMESITYLENE

3,5-Dimethylbenzyl chloride Specification

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