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138509

Sigma-Aldrich

3-Chlorotoluene

98%

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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
Linear Formula:
CH3C6H4Cl
CAS Number:
108-41-8
Molecular Weight:
126.58
Beilstein:
1903632
EC Number:
203-580-5
MDL number:
MFCD00000595
UNSPSC Code:
12352100
PubChem Substance ID:
24848358
NACRES:
NA.22

Quality Level

100

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

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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

H226,H332,H411

Hazard Classifications

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

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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Solvation and intermolecular exploration of drug molecule fragments.
Fumino K, et al.
Journal of Solution Chemistry, 36(6), 715-722 (2007)
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)
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

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