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Merck
CN

111929

4-Chlorotoluene

98%

Synonym(s):

1-Chloro-4-methylbenzene, 1-Methyl-4-chlorobenzene, 4-Methyl-1-chlorobenzene, 4-Methylchlorobenzene, 4-Methylphenyl chloride, p-Chloromethylbenzene, p-Chlorotoluene, p-Methylchlorobenzene, p-Tolyl chloride

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About This Item

Linear Formula:
CH3C6H4Cl
CAS Number:
106-43-4
Molecular Weight:
126.58
NACRES:
NA.22
PubChem Substance ID:
24847050
eCl@ss:
39050207
UNSPSC Code:
12352100
EC Number:
203-397-0
MDL number:
MFCD00000631
Beilstein/REAXYS Number:
1903635

Key Documents

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Product Name

4-Chlorotoluene, 98%

form

liquid

InChI key

NPDACUSDTOMAMK-UHFFFAOYSA-N

InChI

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

SMILES string

Cc1ccc(Cl)cc1

vapor density

4.38 (vs air)

vapor pressure

10 mmHg ( 45 °C)

assay

98%

impurities

≤2% 2-chlorotoluene

refractive index

n20/D 1.52 (lit.)

bp

162 °C (lit.)

mp

6-8 °C (lit.)

density

1.07 g/mL at 25 °C (lit.)

functional group

chloro

Quality Level

100

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Application

The product was used for the preparation model gas of 4-chlorotoulene by passing synthesized air into liquid 4-chlorotoulene.

General description

The reaction of 4-chlorotouleneand phenylboronic acid with Pd(OAc)2/L•2HX as the catalyst is the model reaction for determining the efficiencies of bisimidazolylidene (L) ligand precursors.

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Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Flam. Liq. 3 - Skin Sens. 1

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

123.8 °F - closed cup

flash_point_c

51 °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
STBL3580
STBL1680
STBL0923
STBL0170
BCCG9286

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Palladium-bisimidazol-2-ylidene complexes as catalysts for general and efficient Suzuki cross-coupling reactions of aryl chlorides with arylboronic acids.
Zhang C and Trudell ML.
Tetrahedron Letters, 41(5), 595-598 (2000)
Organic pollutants treatment in gas phase by using electron beam generated non-thermal plasma reactor.
Sun, Y, et al.
Chem. Listy, 102(16), s1524-s1528 (2008)
T Zewdie et al.
Journal of toxicology and environmental health, 50(2), 159-172 (1997-02-07)
Treatment of rats with p-chlorotoluene (PCT, 1 g/kg, ip) resulted in peak PCT blood and lung concentrations at 4 h, which declined to very low levels at 12 h. The concentration of PCT in the liver attained its highest value
[Hygienic standardization of p-chlorobenzylchloride in reservoir water].
G T Pis'ko et al.
Gigiena i sanitariia, (5)(5), 13-14 (1990-05-01)
Ya-Jun Liu et al.
Physical chemistry chemical physics : PCCP, 7(23), 3938-3942 (2005-12-07)
Equilibrium geometries and vibrational frequencies of the ground and some excited states of p-chlorotoluene were calculated by the complete active space self-consistent field (CASSCF) method. Multi-reference CASSCF second order perturbation theory (MSCASPT2) calculations were performed on the vertical excitation energies
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