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79179

Sigma-Aldrich

Nitromethyl phenyl sulfone

≥99.0% (T)

Synonym(s):

(Nitromethylsulfonyl)benzene, (Phenylsulfonyl)nitromethane, Benzenesulfonylnitromethane

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About This Item

Linear Formula:
C6H5SO2CH2NO2
CAS Number:
21272-85-5
Molecular Weight:
201.20
Beilstein:
1876502
EC Number:
244-308-5
MDL number:
MFCD00015928
UNSPSC Code:
12352100
PubChem Substance ID:
57652775
NACRES:
NA.22

Assay

≥99.0% (T)

form

crystals

mp

78-80 °C

SMILES string

[O-][N+](=O)CS(=O)(=O)c1ccccc1

InChI

1S/C7H7NO4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2

InChI key

ADKLJTCVZHUANG-UHFFFAOYSA-N

Other Notes

Versatile acidic analogue of nitromethane; Used for preparing phenylsulfonyl nitrile oxide, a reagent for syn-cyanohydroxylations of olefins; Cycloadditions with olefins

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BGBC0699V
046891/1
046891/1
39196/1
039196/1

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P.A. Wade et al.
The Journal of Organic Chemistry, 46, 765-765 (1981)
P.A. Wade et al.
The Journal of Organic Chemistry, 49, 4595-4595 (1984)
P.A. Wade et al.
The Journal of Organic Chemistry, 46, 5425-5425 (1981)
E.E. Knaus
The Journal of Organic Chemistry, 49, 123-123 (1984)

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