4-Methoxy-2,5-dimethylbenzenesulfonyl chloride
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Basic information
- CAS
91179-12-3- Standard SMILES
COc1cc(C)c(S(=O)(=O)Cl)cc1C- InChIKey
RGOCLWBHRMQADB-UHFFFAOYSA-N- Molecular formula
- C9H11ClO3S
- Average molar mass
- 234.7 g/mol
- Monoisotopic mass
- 234.0117431
Names & identifiers
- Preferred name
- 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride
- IUPAC
- 4-methoxy-2,5-dimethylbenzenesulfonyl chloride
- English name
- 2,5-Dimethyl-4-methoxybenzenesulfonylchloride
- Molecular formula
- C9H11ClO3S
- Molecular weight
- 234.7
Names & synonyms
91179-12-34-methoxy-2,5-dimethylbenzenesulfonyl chlorideDTXSID70348704benzenesulfonyl chloride, 4-methoxy-2,5-dimethyl-RefChem:99571DTXCID60299776InChI=1/C9H11ClO3S/c1-6-5-9(14(10,11)12)7(2)4-8(6)13-3/h4-5H,1-3H4-methoxy-2,5-dimethylbenzene-1-sulfonyl chloride4-Methoxy-2,5-dimethyl-benzenesulfonyl chlorideMFCD08688025AKOS000272851BS-36425
Show more names
2,5-Dimethyl-4-methoxybenzenesulfonylchloride4-Methoxy-2,5-dimethylbenzenesulfonyl chlorid4-methoxy-2,5-dimethylbenzenesulfonyl chloride(SALTDATA: FREE)
EN300-45224F3308-2753chloro(4-methoxy-2,5-dimethylphenyl)sulfone2,5-Dimethyl-4-methoxybenzenesulfonyl chlorideSCHEMBL641185RDA17912SBB016751ST50342087
Database identifiers
- CAS
91179-12-3- PubChem CID
- 640198
- DTXSID
DTXSID70348704
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 98 · 98-99 °C
- Boiling point
- 350.3 · 350.3±42.0 °C(Predicted)
- Density
- 1.285 · 1.285±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
0 records
No reaction records under the current filter.
Compound notes
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