Phenol, 3(or 4)-methyl-, 1-(hydrogen sulfate)
Basic information
- CAS
3233-57-6- Standard SMILES
Cc1cccc(OS(=O)(=O)O)c1- InChIKey
HZGJZZQVDDYIIO-UHFFFAOYSA-N- Molecular formula
- C7H8O4S
- Average molar mass
- 188.2 g/mol
- Monoisotopic mass
- 188.01432991
Names & identifiers
- Preferred name
- Phenol, 3(or 4)-methyl-, 1-(hydrogen sulfate)
- IUPAC
- (3-methylphenyl) hydrogen sulfate
Names & synonyms
Sulfonated cresolCaswell No. 810Am(or p)-Cresol hydrogen sulfateEINECS 268-572-6EPA Pesticide Chemical Code 022106Phenol, 3(or 4)-methyl-, hydrogen sulfatePhenol, 3(or 4)-methyl-, 1-(hydrogen sulfate)RefChem:8608753-methylphenyl hydrogen sulfatem-cresol sulfate68127-34-4m(Or p)-tolyl hydrogen sulphate
Show more names
Policresulen Impurity 2m-tolyl hydrogen sulfate(3-METHYLPHENYL)OXIDANESULFONIC ACIDm,p-Cresol sulfonic acidSCHEMBL1532691SCHEMBL9799502DTXSID408914793CQ037I9X3
Database identifiers
- CAS
3233-57-6、68127-34-4- PubChem CID
- 109503
- DTXSID
DTXSID40891479- UNII
- 3CQ037I9X3
- EC Number
- 268-572-6
- Nikkaji
- J2.131.163D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Phenol, 3(or 4)-methyl-, hydrogen sulfate
Other Safety InformationIMAP assessments - Phenol, 3(or 4)-methyl-, hydrogen sulfate: Human health tier I assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 3(or 4)-methyl-, 1-(hydrogen sulfate): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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