2-Nitro-p-toluenesulphonyl chloride

HCID 104689

Basic information

CAS
54090-41-4
Standard SMILES
Cc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1
InChIKey
HEVNLMSJUFKWBS-UHFFFAOYSA-N
Molecular formula
C7H6ClNO4S
Average molar mass
235.65 g/mol
Monoisotopic mass
234.9706065

Names & identifiers

Preferred name
2-Nitro-p-toluenesulphonyl chloride
IUPAC
4-methyl-2-nitrobenzenesulfonyl chloride
English name
2-nitro-p-toluenesulphonyl chloride
Molecular formula
C7H6ClNO4S
Molecular weight
235.64

Names & synonyms

54090-41-44-methyl-2-nitrobenzene-1-sulfonyl chloride2-Nitro-p-toluenesulphonyl chloride4-methyl-2-nitrobenzenesulfonyl chlorideEINECS 258-970-8MFCD013658194-methyl-2-nitro-benzenesulfonyl chlorideBenzenesulfonylchloride, 4-methyl-2-nitro-SCHEMBL137704DTXSID40968958ECA09041AKOS002433937
Show more names
chloro(4-methyl-2-nitrophenyl)sulfone2-nitro-4-methylbenzenesulfonyl chloride2-NITRO-P-TOLUENESULFONYL CHLORIDENS-03167SY1747044-methyl-2-nitrobenzene-1-sulfonylchlorideBenzenesulfonyl chloride, 4-methyl-2-nitro-NS00056623

Database identifiers

CAS
54090-41-4
PubChem CID
104689
DTXSID
DTXSID40968958
EC Number
258-970-8
Nikkaji
J279.579E

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
88.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Chemistry & industry

Upstream & downstream products

Suppliers9 total

上海渤腾医药科技有限公司13524892556 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
天津正泽兴科技有限公司199-2257-5710 13116104906 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]

Related reactions

7 records

Compound notes

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