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144606

Sigma-Aldrich

Cyanomethyl benzenesulfonate

80%, technical grade

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About This Item

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

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

SMILES string

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

InChI

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

InChI key

SSOVHFPWMPUQOS-UHFFFAOYSA-N

General description

Cyanomethyl benzenesulfonate is a potential cyanomethylating agent.

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.

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302 + H312 + H332,H314

Hazard Classifications

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

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °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.

PDSCL

Deleterious substance

FSL

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

JAN Code

144606-VAR:
144606-100G:
144606-25G:4548173105413
144606-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
1426135V
1426135
03607CH
17618BD
50620LM

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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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