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Merck
CN

144606

Cyanomethyl benzenesulfonate

80%, technical grade

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About This Item

Linear Formula:
C6H5SO3CH2CN
CAS Number:
10531-13-2
Molecular Weight:
197.21
NACRES:
NA.22
PubChem Substance ID:
24848671
UNSPSC Code:
12352100
EC Number:
234-093-6
MDL number:
MFCD00007547
Assay:
80%

Key Documents

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Product Name

Cyanomethyl benzenesulfonate, 80%, technical grade

InChI key

SSOVHFPWMPUQOS-UHFFFAOYSA-N

InChI

1S/C8H7NO3S/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5H,7H2

SMILES string

O=S(=O)(OCC#N)c1ccccc1

grade

technical grade

assay

80%

refractive index

n20/D 1.523 (lit.)

bp

142-146 °C/1 mmHg (lit.)

density

1.309 g/mL at 25 °C (lit.)

functional group

nitrile
sulfonic acid

Application

Cyanomethyl benzenesulfonate was used in the synthesis of nido-and closo-arsacarboranes. It was used in separation of aromatic hydrophobic sulfonates by micellar electrokinetic chromatography using different buffer system.

General description

Cyanomethyl benzenesulfonate is a potential cyanomethylating agent.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

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

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
1426135V
1426135
03607CH
17618BD
04917HC

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Synthesis of nido-and closo-arsacarboranes.
Smith J, et al.
Inorganic Chemistry, 13(10), 2312-2316 (1974)
[Studies on application of cyanomethyl benzenesulfonate as a new cyanomethylating agent. I. Cyanomethyl esters of arylsulfonic acids].
S Grudziński
Acta poloniae pharmaceutica, 23(5), 417-423 (1966-01-01)
Sille Ehala et al.
Journal of chromatography. A, 1161(1-2), 322-326 (2007-07-14)
Two different buffer systems for the separation of 12 aromatic hydrophobic sulfonates by micellar electrokinetic chromatography (MEKC) were developed. The following buffer systems were used: aqueous phosphate buffers containing either cetyltrimethylammonium bromide (CTAB) or sodium dodecyl sulfate (SDS). Eleven aromatic

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