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B12695

Benzoyl chloride

≥99%, liquid, ReagentPlus®

Synonym(s):

Benzoic acid chloride, alpha-chlorobenzaldehyde

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About This Item

Linear Formula:
C6H5COCl
CAS Number:
98-88-4
Molecular Weight:
140.57
NACRES:
NA.21
PubChem Substance ID:
24891577
UNSPSC Code:
12352100
EC Number:
202-710-8
MDL number:
MFCD00000653
Beilstein/REAXYS Number:
471389
Assay:
≥99%
Form:
liquid
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Product Name

Benzoyl chloride, ReagentPlus®, ≥99%

vapor density

4.88 (vs air)

Quality Segment

vapor pressure

1 mmHg ( 32 °C)

product line

ReagentPlus®

assay

≥99%

form

liquid

autoignition temp.

1056 °F

expl. lim.

4.9 %

reaction suitability

reactivity: alcohol reactive, reactivity: amine reactive, reagent type: protection reagent

refractive index

n20/D 1.553 (lit.)

bp

198 °C (lit.)

mp

−1 °C (lit.)

density

1.211 g/mL at 25 °C (lit.)

functional group

acyl chloride, phenyl

SMILES string

ClC(=O)c1ccccc1

InChI

1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChI key

PASDCCFISLVPSO-UHFFFAOYSA-N

General description

Benzoyl chloride, an acid chloride, is a commonly used benzoylating agent. The arylation of 1,1- and 1,2-disubstituted activated alkenes using benzoyl chloride in the presence of palladium catalyst has been investigated.

Application

Benzoyl chloride may be used to synthesize:
  • 4-Methoxybenzophenone via acylation of anisole in the presence of cesium-substituted dodecatungstophosphoric acid (Cs2.5H0.5PW12O40) supported on K-10 clay.
  • Benzoylamino acids via acylation of amino acids in the presence of diisopropylethylamine.
  • p-, o-, m-Methylbenzophenones via benzoylation of toluene in the presence of Al-promoted sulfated zirconia catalysts.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

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Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 1

Flash Point (°F)

161.6 °F - closed cup

Flash Point (°C)

72 °C - closed cup

PPE (personal protective equipment)

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

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