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Structure

4-Methylsulfonyl-2-nitrotoluene

CAS
1671-49-4
Catalog Number
ACM1671494
Category
Other Products
Molecular Weight
215.22
Molecular Formula
C8H9NO4S

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Specification

Synonyms
ZINC00054928, CID687125, ST002315, 1671-49-4
IUPAC Name
1-methyl-4-methylsulfonyl-2-nitrobenzene
Canonical SMILES
CC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]
InChI Key
OXBDLEXAVKAJFD-UHFFFAOYSA-N
Boiling Point
387.8ºC at 760mmHg
Melting Point
120-121ºC
Flash Point
188.3ºC
Density
1.35g/cm³
EC Number
605-469-0
Exact Mass
215.02500
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
26-36/37/39
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