Basic information
- CAS
37100-89-3- Standard SMILES
Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1- InChIKey
ZAXNCRKVXUFGOF-UHFFFAOYSA-N- Molecular formula
- C13H11ClO3S
- Average molar mass
- 282.74 g/mol
- Monoisotopic mass
- 282.0117431
Overview
See also: 4-Chloro-benzenesulfonic acid P-tolyl ester (annotation moved to).
Names & identifiers
- Preferred name
- 4-Methylphenyl 4-chlorobenzenesulfonate
- IUPAC
- (4-methylphenyl) 4-chlorobenzenesulfonate
- English name
- 4-Chloro-benzenesulfonic acid p-tolyl ester
- Molecular formula
- C13H11ClO3S
- Molecular weight
- 282.74
Names & synonyms
4-methylphenyl 4-chlorobenzenesulfonate37100-89-3p-tolyl 4-chlorobenzenesulfonateSCHEMBL12584886DTXSID501034188AKOS000520443Benzenesulfonic acid, p-chloro-, p-tolyl esterBenzenesulfonic acid, 4-chloro-, 4-methylphenyl ester4-Chloro-benzenesulfonic acid p-tolyl ester
Database identifiers
- CAS
37100-89-3- PubChem CID
- 504160
- DTXSID
DTXSID501034188- Nikkaji
- J1.732.126I
Properties
Computed structural properties
- 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,GHS05
- Signal word
- Danger
- Hazard statements
- 413 · H413-H315-H318-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H413-H315-H318-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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