Basic information
- CAS
90416-51-6- Standard SMILES
COc1ccc(S(=O)(=O)Cl)c(C)c1C- InChIKey
WYOJSJPQGYIIIR-UHFFFAOYSA-N- Molecular formula
- C9H11ClO3S
- Average molar mass
- 234.7 g/mol
- Monoisotopic mass
- 234.01174289
Names & identifiers
- Preferred name
- 4-Methoxy-2,3-dimethylbenzenesulfonyl chloride
- IUPAC
- 4-methoxy-2,3-dimethylbenzenesulfonyl chloride
- English name
- 4-methoxy-2,3-dimethylbenzenesulfonyl chloride
- Molecular formula
- C9H11ClO3S
- Molecular weight
- 234.7
Names & synonyms
4-METHOXY-2,3-DIMETHYLBENZENESULFONYL CHLORIDERefChem:524511801-634-890416-51-64-Methoxy-2,3-dimethylbenzene-1-sulfonyl chlorideC9H11ClO3SMFCD111338772731AFSCHEMBL3746673DTXSID80609393WYOJSJPQGYIIIR-UHFFFAOYSA-NSBB050809
Show more names
4-Methoxy-2，3-dimethylbenzene-1-sulfonyl chloridbenzenesulfonyl chloride, 4-methoxy-2,3-dimethyl-4-methoxy-2,3-dimethylbenzenesulfonyl chloride(SALTDATA: FREE)
AKOS005139228AS-55110DB-381291chloro(4-methoxy-2,3-dimethylphenyl)sulfoneEN300-79924W164044-methoxy-2,3-dimethyl-benzenesulfonyl chloride4-Methoxy-2,3-dimethylbenzene-1-sulfonylchloride
Database identifiers
- CAS
90416-51-6- PubChem CID
- 20689151
- DTXSID
DTXSID80609393- EC Number
- 801-634-8
Properties
Computed structural properties
- 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
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers4 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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