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106631

Sigma-Aldrich

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
Beilstein:
471492
EC Number:
212-864-8
MDL number:
MFCD00000696
UNSPSC Code:
12352100
PubChem Substance ID:
24846740
NACRES:
NA.22

vapor density

5.33 (vs air)

Quality Level

200

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

SMILES string

Cc1ccc(cc1)C(Cl)=O

InChI

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

InChI key

NQUVCRCCRXRJCK-UHFFFAOYSA-N

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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.

Application

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

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H314,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

179.6 °F - closed cup

Flash Point(C)

82 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

106631-5G:
106631-VAR:
106631-500G:
106631-100G:
106631-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBF0538V
02396DMV
02396DM
81296HM
27696MJ

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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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