Basic information
- CAS
3687-13-6- Standard SMILES
CS(=O)(=O)Oc1ccc(Cl)cc1Cl- InChIKey
HWTBOKMYXXIASI-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2O3S
- Average molar mass
- 241.09 g/mol
- Monoisotopic mass
- 239.9414706
Names & identifiers
- Preferred name
- Phenol, 2,4-dichloro-, methanesulfonate
- IUPAC
- (2,4-dichlorophenyl) methanesulfonate
Names & synonyms
3687-13-6Phenol, 2,4-dichloro-, methanesulfonateShell SD 7,7272,4-DichlorophenylmethanesulfonateSD 7727BRN 2271572AI3-25992Methanesulfonic acid, 2,4-dichlorophenyl esterDTXSID20190351RefChem:368905DTXCID301128422,4-dichlorophenyl methanesulfonate
Show more names
SCHEMBL1875965SCHEMBL10912907SCHEMBL15067557SCHEMBL15067919AKOS017089003
Database identifiers
- CAS
3687-13-6- PubChem CID
- 77264
- DTXSID
DTXSID20190351- Nikkaji
- J8.205H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 259
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Acute Toxicity LinkChemical: DICHLOROPHENYL METHYLSULFONATE
Chemistry & industry
Uses & manufacturing
Use ClassificationNEMATICIDES
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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