(4-Chlorophenylsulfonyl)(methylsulfonyl)methane
Basic information
- CAS
74047-08-8- Standard SMILES
CS(=O)(=O)CS(=O)(=O)c1ccc(Cl)cc1- InChIKey
VUDXTXFYABLLCO-UHFFFAOYSA-N- Molecular formula
- C8H9ClO4S2
- Average molar mass
- 268.7 g/mol
- Monoisotopic mass
- 267.9630788
Names & identifiers
- Preferred name
- (4-Chlorophenylsulfonyl)(methylsulfonyl)methane
- IUPAC
- 1-chloro-4-(methylsulfonylmethylsulfonyl)benzene
- English name
- 1-chloro-4-methanesulfonylmethanesulfonylbenzene
- Molecular formula
- C8H9ClO4S2
- Molecular weight
- 268.73766
Names & synonyms
(4-CHLOROPHENYLSULFONYL)(METHYLSULFONYL)METHANERefChem:402701622-091-174047-08-81-chloro-4-(methylsulfonylmethylsulfonyl)benzeneNSC270709SCHEMBL29048488DTXSID70313497AKOS016362434NSC-2707091-Chloro-4-[(methanesulfonyl)methanesulfonyl]benzene1-chloro-4-methanesulfonylmethanesulfonylbenzene
Database identifiers
- CAS
74047-08-8- PubChem CID
- 321180
- DTXSID
DTXSID70313497- EC Number
- 622-091-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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