Skip to Content
Merck
All Photos(2)

Key Documents

138509

Sigma-Aldrich

3-Chlorotoluene

98%

Synonym(s):

1-Chloro-3-methylbenzene, 1-Methyl-3-chlorobenzene, 3-Chloro-1-methylbenzene, 3-Methylchlorobenzene, 3-Methylphenyl chloride, m-Chlorotoluene, m-Methylchlorobenzene, m-Tolyl chloride

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
CH3C6H4Cl
CAS Number:
Molecular Weight:
126.58
Beilstein:
1903632
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

liquid

refractive index

n20/D 1.522 (lit.)

bp

160-162 °C (lit.)

mp

−48 °C (lit.)

density

1.072 g/mL at 25 °C (lit.)

SMILES string

Cc1cccc(Cl)c1

InChI

1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChI key

OSOUNOBYRMOXQQ-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Application

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.

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

125.6 °F - closed cup

Flash Point(C)

52 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Influence of Glycidyl Methacrylate Grafted Multi-walled Carbon Nanotubes on Viscoelastic Behaviors of Polypropylene Nanocomposites.
Shim Y-S and Park S-J.
Carbon Letters, 11(4), 311-315 (2010)
Solvation and intermolecular exploration of drug molecule fragments.
Fumino K, et al.
Journal of Solution Chemistry, 36(6), 715-722 (2007)
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service