Benzene,1-chloro-2,4,5-trimethyl- supplier

Name
2,4,6-(TRIMETHYL)BENZYLCHLORIDE
EINECS
CAS No. 31053-96-0
Article Data9
CAS DataBase
Density 1.029 g/cm³
Solubility
Melting Point 69.5-71.0 °C
Formula C₁₀H₁₃Cl
Boiling Point 213.9 °C at 760 mmHg
Molecular Weight 154.639
Flash Point 78.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Chloro-2,4,5-trimethylbenzene;5-Chloro-1,2,4-trimethylbenzene;NSC 60053;5-Chloropseudocumene;
PSA 0.00000
LogP 3.26520

Benzene,1-chloro-2,4,5-trimethyl- Specification

The Benzene, 1-chloro-2, 4, 5-trimethyl-, with the CAS registry number 31053-96-0, is also known as 5-Chloro-1, 2, 4-trimethylbenzene. This chemical's molecular formula is C₁₀H₁₃Cl and molecular weight is 168.66. What's more, its IUPAC name is 1-Chloro-2, 4, 5-trimethylbenzene.

Physical properties about Benzene, 1-chloro-2, 4, 5-trimethyl- are: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 905.99; (6)ACD/BCF (pH 7.4): 905.99; (7)ACD/KOC (pH 5.5): 4553.12; (8)ACD/KOC (pH 7.4): 4553.12; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 45.62 cm³; (15)Molar Volume: 150.2 cm³; (16)Polarizability: 18.08×10^-24 cm³; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 1.029 g/cm³; (19)Flash Point: 78.4 °C; (20)Enthalpy of Vaporization: 43.19 kJ/mol; (21)Boiling Point: 213.9 °C at 760 mmHg; (22)Vapour Pressure: 0.234 mmHg at 25 °C.

Preparation of Benzene, 1-chloro-2, 4, 5-trimethyl-: this chemical is prepared by 1, 2, 4-Trimethyl-benzene at ambient temperature. The reaction needs reagent Benzyltrimethylammonium tetrachloroiodate and solvent Acetic acid. The reaction time is 20 hours. The yield is about 52 %.

The Benzene, 1-chloro-2, 4, 5-trimethyl- can be obtained by 1, 2, 4-Trimethyl-benzene.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(c(cc1C)C)C
(2) InChI: InChI=1/C9H11Cl/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H3
(3) InChIKey: LJQDRBHJSRPHEP-UHFFFAOYAY

Product Name

2,4,6-(TRIMETHYL)BENZYLCHLORIDE

Benzene,1-chloro-2,4,5-trimethyl- Specification

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