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Merck

108111

Benzenesulfonyl chloride

96%

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About This Item

Linear Formula:
C6H5SO2Cl
CAS Number:
98-09-9
Molecular Weight:
176.62
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846801
EC Number:
202-636-6
Beilstein/REAXYS Number:
606926
MDL number:
MFCD00007426

Key Documents

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Product Name

Benzenesulfonyl chloride, 96%

InChI key

CSKNSYBAZOQPLR-UHFFFAOYSA-N

InChI

1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

SMILES string

ClS(=O)(=O)c1ccccc1

vapor pressure

0.04 mmHg ( 20 °C)

assay

96%

refractive index

n20/D 1.551 (lit.)

bp

251-252 °C (lit.)

mp

13-15 °C (lit.)

solubility

alcohol: soluble
cold water: insoluble
diethyl ether: soluble

density

1.384 g/mL at 25 °C (lit.)

Quality Level

100

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Application

Benzenesulfonyl chloride may be used in thiamine assay for determination of thiamine in different food products.

General description

Benzenesulfonyl chloride reacts with Grignard reagent from N-unsubstituted indoles to form oxindoles or substituted indoles. It is the derivatization reagent for the determination of various amines in waste water and surface water at the sub-ppb level by gas chromatography-mass spectrometry.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

hcodes

H302,H314

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 1

flash_point_f

260.6 °F

flash_point_c

127 °C

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
S33036
STBC0648V
55996TJ
00616AJ
02229PE

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Unusual reactions of magnesium indolates with benzenesulfonyl chloride.
Wenkert E, et al.
The Journal of Organic Chemistry, 52(15), 3404-3409 (1987)
A Leone-Bay et al.
Journal of medicinal chemistry, 38(21), 4257-4262 (1995-10-13)
A series of benzoylated and phenylsulfonylated amino acids are novel, low molecular weight, self-assembling molecules. At low pH, these compounds form microspheres that dissolve readily under neutral conditions. In a given synthetic series, those molecules with low aqueous solubility formed
Ihor E Kopka et al.
Bioorganic & medicinal chemistry letters, 12(4), 637-640 (2002-02-15)
A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring
A G Soliman
Journal - Association of Official Analytical Chemists, 64(3), 616-622 (1981-05-01)
A semiautomated procedure was used to measure the fluorescence of sample extracts before and after the addition of benzenesulfonyl chloride (BSC). Addition of BSC inhibited thiochrome formation and provided a more representative blank based on the fluorescence of all the
H Kataoka et al.
Biomedical chromatography : BMC, 6(5), 251-254 (1992-09-01)
A selective and sensitive method for the determination of low molecular weight aliphatic primary amines in urine is described. These amines were converted into their benzenesulphonyl derivatives by a modified Hinsberg procedure, and measured by gas chromatography with flame photometric
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