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Merck
CN

106631

p-Toluoyl chloride

98%

Synonym(s):

4-Methylbenzoyl chloride

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About This Item

Linear Formula:
CH3C6H4COCl
CAS Number:
874-60-2
Molecular Weight:
154.59
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846740
EC Number:
212-864-8
Beilstein/REAXYS Number:
471492
MDL number:
MFCD00000696

Key Documents

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Product Name

p-Toluoyl chloride, 98%

InChI key

NQUVCRCCRXRJCK-UHFFFAOYSA-N

InChI

1S/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3

SMILES string

Cc1ccc(cc1)C(Cl)=O

vapor density

5.33 (vs air)

vapor pressure

0.55 mmHg ( 20 °C)

assay

98%

expl. lim.

1.6 %, 117 °F

refractive index

n20/D 1.553 (lit.)

bp

225-227 °C (lit.)
95-96 °C/10 mmHg (lit.)

mp

−4-−2 °C (lit.)

density

1.169 g/mL at 25 °C (lit.)

functional group

acyl chloride

Quality Level

200

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Application

p-Toluoyl chloride was used to prepare antigen, Tolyl-amido-human serum albumin.

General description

p-Toluoyl chloride causes the benzoylation of toluene using triflic acid funtionalized mesoporous Zr-TMS catalysts. It causes1,9-diacylation of a dipyrromethane using the hindered Grignard reagent 2,6-dimethylphenylmagnesium bromide.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

hcodes

H314,H335

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

target_organs

Respiratory system

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

179.6 °F - closed cup

flash_point_c

82 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF4490V
SHBF0538V
02396DMV
27696MJ
02396DM

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Benzoylation of toluene with p-toluoyl chloride over triflic acid functionalized mesoporous Zr-TMS catalyst.
Landge SM, et al.
J. Mol. Catal. A: Chem., 213(2), 257-266 (2004)
Sheng Tang et al.
Journal of chromatography. A, 1476, 53-62 (2016-11-20)
In order to comprehensively understand the influence of coordination of the substituent at 2-position with those at 3- and 6-positions on the properties of chitosan derivatives, a series of chitosan 3,6-bis(arylcarbamate)-2-(amide)s (CACAs) and the related chiral stationary phases (CSPs) were
M H Karol et al.
Clinical allergy, 10(1), 101-109 (1980-01-01)
Two antigens, both containing tolyl groups, were compared for ability to detect IgE antibodies in workers hypersensitive to toluene diisocyanate. One antigen, formed by reaction of p-tolyl isocyanate with human serum albumin, detected antibodies in each of ten hypersensitive workers.
Komal M Vyas et al.
Chemico-biological interactions, 240, 250-266 (2015-09-06)
Pyrazolone based metal complexes have strong bio-activity but the anti-cancer mechanism of these derivatives is not fully understood. In recent years, Cu(II) complexes have attracted the interest of researchers increasingly because of their high antitumor activities that are usually related
Nearly Chromatography-Free Synthesis of the A3B-Porphyrin 5-(4-Hydroxymethylphenyl)-10, 15, 20-tri-p-tolylporphinatozinc (II).
Zaidi SHH, et al.
Organic Process Research & Development, 10(2), 304-314 (2006)

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