4-Chlorophenyl 4-methylbenzenesulfonate
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Basic information
- CAS
599-89-3- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1- InChIKey
PPRVVAPBLOBOSE-UHFFFAOYSA-N- Molecular formula
- C13H11ClO3S
- Average molar mass
- 282.74 g/mol
- Monoisotopic mass
- 282.0117431
Names & identifiers
- Preferred name
- 4-Chlorophenyl 4-methylbenzenesulfonate
- IUPAC
- (4-chlorophenyl) 4-methylbenzenesulfonate
- English name
- 4-chlorophenyl 4-methylbenzenesulfonate
- Molecular formula
- C13H11ClO3S
- Molecular weight
- 282.74264
Names & synonyms
4-chlorophenyl 4-methylbenzenesulfonate599-89-34-chlorophenyl 4-methylbenzene-1-sulfonate(4-chlorophenyl) 4-methylbenzenesulfonate4-Chlorophenyl p-toluenesulfonateNSC6174SCHEMBL9870770p-Chlorophenyl-p-toluenesulfonate4-chlorophenyl 4-toluenesulfonateDTXSID30278119NSC-6174AKOS001044826
Show more names
p-Toluenesulfonic acid 4-chlorophenyl ester
AS-95882H53235EN300-7351097AE-848/33607029F997036Benzenesulfonic acid, 4-methyl-, 4-chlorophenyl esterZ45513535
Database identifiers
- CAS
599-89-3- PubChem CID
- 221507
- DTXSID
DTXSID30278119- Nikkaji
- J95.793C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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