3-Chlorotoluene

Base Information

• Chemical Name: 3-Chlorotoluene
• CAS No.: 108-41-8
• Molecular Formula: C7H7Cl
• Molecular Weight: 126.586
• Hs Code.: 29039990
• European Community (EC) Number: 203-580-5
• NSC Number: 8767
• UN Number: 2238
• UNII: 5K8172K9TT
• DSSTox Substance ID: DTXSID4052841
• Nikkaji Number: J1.497D
• Wikidata: Q22283423
• ChEMBL ID: CHEMBL1797289
• Mol file: 108-41-8.mol

Synonyms:3-chlorotoluene

Chemical Property of 3-Chlorotoluene

Chemical Property:

• Appearance/Colour: colorless transparent liquid
• Vapor Pressure: 3.2mmHg at 25°C
• Melting Point: -48 °C
• Refractive Index: n20/D 1.522(lit.)
• Boiling Point: 159.75 °C at 760 mmHg
• Flash Point: 50.556 °C
• PSA: 0.00000
• Density: 1.076 g/cm³
• LogP: 2.64840
• Storage Temp.: 0-6°C
• Solubility.: 0.04g/l
• Water Solubility.: slightly soluble
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 126.0236279
• Heavy Atom Count: 8
• Complexity: 70.8
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

3-Chlorotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 20-51/53
• Safety Statements: 24/25-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aromatics
• Canonical SMILES: CC1=CC(=CC=C1)Cl
• Uses: 3-Chlorotoluene was used as catalyst in the synthesis of glycidyl methacrylate grafted multi-walled carbon nanotubes/polypropylene nanocomposites. It was used to study paramagnetic contributions from dioxygen to solute proton spin-lattice relaxation rate constants for a series of aromatic hydrocarbons and drug molecule fragments.

Technology Process of 3-Chlorotoluene

There total 82 articles about 3-Chlorotoluene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(3-chlorobenzyl)trimethylsilane (1833-42-7) + sodium methylate (124-41-4) → Trimethylmethoxysilane (1825-61-2) + 1-chloro-3-methylbenzene (108-41-8)

Guidance literature:

In methanol; at 50 ℃; Rate constant; var. reactant concentrations;

DOI:10.1016/S0022-328X(00)93463-6

Reference yield:

1-((benzyloxy)methyl)-3-chlorobenzene (3395-70-8) → 1-chloro-3-methylbenzene (108-41-8) + m-chlorobenzyl alcohol (873-63-2) + benzaldehyde (100-52-7) + m-Chlorobenzaldehyde (587-04-2) + toluene (108-88-3,15644-74-3,16713-13-6) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

aluminum oxide; In benzene; at 340 ℃; Product distribution; Mechanism;

Reference yield:

(3-Chloro-benzyl)-methyl-silanediol (115834-55-4) → methylsilanetriol (2445-53-6) + 1-chloro-3-methylbenzene (108-41-8)

Guidance literature:

With potassium hydroxide; In water; dimethyl sulfoxide; at 25 ℃; Kinetics; different reagent concentrations, solvent ratios;

upstream raw materials:

m-toluenediazonium chloride

3-methyl-phenol

methyl radical

chlorobenzene

Downstream raw materials:

3-(trimethylsilyl)toluene

1,1,1-trichloro-2,2-bis-(4-chloro-2-methyl-phenyl)-ethane

(3-methylphenyl)triethylsilane

N,N-diphenyl-m-toluidine

Refernces

• 1、 Verevkin, Sergey P.,Messner, Julia,Emel'Yanenko, Vladimir N.,Gantman, Mikhail G.,Schulz, Peter S.,Wasserscheid, Peter. "Thermodynamic Analysis of Isomerization Equilibria of Chlorotoluenes and Dichlorobenzenes in a Biphasic Reaction Systems Containing Highly Acidic Chloroaluminate Melts". . p. 13152 - 13160. Retrieved 2016.
• 2、 Daniewski, Andrzej R.,Liu, Wen,Puentener, Kurt,Scalone, Michelangelo. "Two efficient methods for the preparation of 2-chloro-6-methylbenzoic acid". . p. 220 - 224. Retrieved 2002.
• 3、 Korvinson, Kirill A.,Akula, Hari K.,Malinchak, Casina T.,Sebastian, Dellamol,Wei, Wei,Khandaker, Tashrique A.,Andrzejewska, Magdalena R.,Zajc, Barbara,Lakshman, Mahesh K.. "Catalytic Reductions Without External Hydrogen Gas: Broad Scope Hydrogenations with Tetrahydroxydiboron and a Tertiary Amine". supporting information. p. 166 - 176. Retrieved 2020/01/02.
• 4、 -. "A process for preparing O-toluene". Paragraph 0015-0018. . Retrieved 2018/10/11.