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Merck
CN

138509

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

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About This Item

Linear Formula:
CH3C6H4Cl
CAS Number:
108-41-8
Molecular Weight:
126.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24848358
EC Number:
203-580-5
Beilstein/REAXYS Number:
1903632
MDL number:
MFCD00000595
Assay:
98%
Form:
liquid

Key Documents

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Product Name

3-Chlorotoluene, 98%

InChI key

OSOUNOBYRMOXQQ-UHFFFAOYSA-N

InChI

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

SMILES string

Cc1cccc(Cl)c1

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.)

Quality Level

100

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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.

signalword

Warning

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

125.6 °F - closed cup

flash_point_c

52 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCW1995
MKCV0571
MKCQ1123
MKCL0812
MKCG3505

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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

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