Benzene,2-chloro-1,3,5-trimethyl- supplier

Name
2-CHLOROMESITYLENE
EINECS
CAS No. 1667-04-5
Article Data17
CAS DataBase
Density 1.029 g/cm³
Solubility
Melting Point -43.35°C (estimate)
Formula C₉H₁₁Cl
Boiling Point 206.7 °C at 760 mmHg
Molecular Weight 154.639
Flash Point 76.8 °C
Transport Information
Appearance
Safety
Risk Codes R22; R36/37/38; R43
Molecular Structure
Hazard Symbols Xn
Synonyms Mesitylene,2-chloro- (6CI,7CI,8CI);1,3,5-Trimethyl-2-chlorobenzene;1-Chloro-2,4,6-trimethylbenzene;2,4,6-Trimethylchlorobenzene;2,4,6-Trimethylmonochlorobenzene;2,4,6-Trimethylphenyl chloride;2-Chloro-1,3,5-trimethylbenzene;2-Chloromesitylene;Chloromesitylene;Mesitylchloride;NSC 139128;
PSA 0.00000
LogP 3.26520

Benzene,2-chloro-1,3,5-trimethyl- Specification

The Benzene, 2-chloro-1, 3, 5-trimethyl-, with the CAS registry number 1667-04-5, is also known as 2-Chloromesitylene. This chemical's molecular formula is C₉H₁₁Cl and molecular weight is 154.64. What's more, its IUPAC name is 2-Chloro-1, 3, 5-trimethylbenzene.

Physical properties about Benzene, 2-chloro-1, 3, 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)Index of Refraction: 1.519; (13)Molar Refractivity: 45.62 cm³; (14)Molar Volume: 150.2 cm³; (15)Polarizability: 18.08×10^-24 cm³; (16)Surface Tension: 31.5 dyne/cm; (17)Density: 1.029 g/cm³; (18)Flash Point: 76.8 °C; (19)Enthalpy of Vaporization: 42.49 kJ/mol; (20)Boiling Point: 206.7 °C at 760 mmHg; (21)Vapour Pressure: 0.336 mmHg at 25 °C.

Preparation of Benzene, 2-chloro-1, 3, 5-trimethyl-: this chemical is prepared by 1, 3, 5-Trimethyl-benzene. This reaction needs reagent CuCl₂, catalyst Al₂O₃ and solvent Chlorobenzene. The reaction time is 5 hours with reaction temperature of 110 °C. The yield is about 78 %.

The Benzene, 2-chloro-1, 3, 5-trimethyl- can be obtained by 1, 3, 5-Trimethyl-benzene.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(C)c(Cl)c(C)c1
(2) InChI: InChI=1/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
(3) InChIKey: WDZACGWEPQLKOM-UHFFFAOYAH

Product Name

2-CHLOROMESITYLENE

Benzene,2-chloro-1,3,5-trimethyl- Specification

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