2-Ethoxy-5-methylbenzene-1-sulfonyl chloride
Basic information
- CAS
187471-28-9- Standard SMILES
CCOc1ccc(C)cc1S(=O)(=O)Cl- InChIKey
UXIMQTGBQKUZAN-UHFFFAOYSA-N- Molecular formula
- C9H11ClO3S
- Average molar mass
- 234.7 g/mol
- Monoisotopic mass
- 234.0117431
Names & identifiers
- Preferred name
- 2-Ethoxy-5-methylbenzene-1-sulfonyl chloride
- IUPAC
- 2-ethoxy-5-methylbenzenesulfonyl chloride
- English name
- 2-ethoxy-5-methylbenzenesulfonyl chloride(SALTDATA: FREE)
- Molecular formula
- C9H11ClO3S
- Molecular weight
- 234.7
Names & synonyms
187471-28-92-ethoxy-5-methylbenzene-1-sulfonyl chloride2-ETHOXY-5-METHYLBENZENESULFONYL CHLORIDEMFCD098036332-ethoxy-5-methylbenzenesulfonyl chloride(SALTDATA: FREE)SCHEMBL7870540SCHEMBL29959795DTXSID20593161UXIMQTGBQKUZAN-UHFFFAOYSA-NMHA47128SBB082002AKOS000162439
Show more names
Benzenesulfonyl chloride, 2-ethoxy-5-methyl-
chloro(2-ethoxy-5-methylphenyl)sulfoneBS-373892-ethoxy-5-methyl-benzenesulfonyl chloride2-ethoxy-5-methylbenzene-1-sulfonylchlorideCS-0251247EN300-54107F312705
Database identifiers
- CAS
187471-28-9- PubChem CID
- 18366197
- DTXSID
DTXSID20593161
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 342.4 · 342.4±35.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- 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
5 records
Compound notes
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