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Key Documents

V800078

Sigma-Aldrich

Benzoyl chloride

LR, ≥99%

Synonym(s):

Benzoic acid chloride, alpha-chlorobenzaldehyde

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About This Item

Linear Formula:
C6H5COCl
CAS Number:
Molecular Weight:
140.57
Beilstein:
471389
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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grade

LR

Quality Level

vapor density

4.88 (vs air)

vapor pressure

1 mmHg ( 32 °C)

product line

Vetec

Assay

≥99%

autoignition temp.

1056 °F

expl. lim.

4.9 %

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

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Legal Information

Vetec is a trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Skull and crossbonesCorrosion

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 Code

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


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Ozgül Ozdestan et al.
Talanta, 78(4-5), 1321-1326 (2009-04-14)
A new benzoylation procedure was developed which was more reliable than the most common benzoylation procedures in terms of reaction time, peak resolution, detector response and repeatability. Methylamine, putrescine, cadaverine, tryptamine, beta-phenylethylamine, spermidine, spermine, histamine, tyramine and agmatine were studied.
Ran Liu et al.
Journal of mass spectrometry : JMS, 47(10), 1341-1346 (2012-09-29)
A high-performance liquid chromatography coupled with Q-time of flight mass spectrometry (HPLC/Q-TOF MS) method was developed and validated for the determination of 1, 3-diaminopropane, putrescine, cadaverine, spermidine and spermine in human plasma. The plasma samples were first pretreated by 10%
Cong Li et al.
Journal of the American Society for Mass Spectrometry, 24(4), 493-501 (2013-03-21)
The benzoxyl radical is a key intermediate in the combustion of toluene and other aromatic hydrocarbons, yet relatively little experimental work has been performed on this species. Here, a combination of electrospray ionization (ESI), multistage mass spectrometry experiments, and density
Russell J Cox et al.
Chemical communications (Cambridge, England), (8)(8), 1037-1039 (2005-02-19)
Conditions are reported for the facile, high-yielding coupling of acyl chlorides with terminal alkynes in a reaction involving palladium and copper iodide; the reaction is tolerant of a wide variety of acyl chlorides and terminal alkynes and provides a convenient
Vutukuri Prakash Reddy et al.
Organic & biomolecular chemistry, 13(24), 6803-6813 (2015-05-27)
The direct sulfenylation and sulfonylation of (sp(2))C-H bonds of benzamide derivatives were achieved using a Ni catalyst with the aid of an 8-aminoquinoline moiety as a bidentate directing group. These protocols represent a convenient route for the formation of valuable

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