4-Methoxy-2-methyl-5-(propan-2-yl)benzene-1-sulfonyl chloride
Basic information
- CAS
889939-83-7- Standard SMILES
COc1cc(C)c(S(=O)(=O)Cl)cc1C(C)C- InChIKey
DIDRZYFYDMMUJT-UHFFFAOYSA-N- Molecular formula
- C11H15ClO3S
- Average molar mass
- 262.75 g/mol
- Monoisotopic mass
- 262.0430432
Names & identifiers
- Preferred name
- 4-Methoxy-2-methyl-5-(propan-2-yl)benzene-1-sulfonyl chloride
- IUPAC
- 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonyl chloride
- English name
- 5-Isopropyl-4-methoxy-2-methyl-benzenesulfonyl chloride
- Molecular formula
- C11H15ClO3S
- Molecular weight
- 262.75
Names & synonyms
889939-83-74-methoxy-2-methyl-5-(propan-2-yl)benzene-1-sulfonyl chlorideDTXSID40602547RefChem:293801DTXCID00553304972-144-05-Isopropyl-4-methoxy-2-methyl-benzenesulfonyl chloride5-isopropyl-4-methoxy-2-methylbenzenesulfonyl chloride4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonyl chlorideMFCD08445770benzenesulfonyl chloride, 4-methoxy-2-methyl-5-(1-methylethyl)-chloro[4-methoxy-2-methyl-5-(methylethyl)phenyl]sulfone
Show more names
ST54015634-methoxy-2-methyl-5-propan-2-yl-benzenesulfonyl chlorideBenzenesulfonylchloride,4-methoxy-2-methyl-5-(1-methylethyl)-
SCHEMBL22032766ALBB-027024SBB082167AKOS000302850LS-09233CS-0117381ST50401563EN300-187524
Database identifiers
- CAS
889939-83-7- PubChem CID
- 20108852
- DTXSID
DTXSID40602547- EC Number
- 972-144-0
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 367.6 · 367.6±42.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
- hazard_class
- IRRITANT
Suppliers
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Related reactions
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Compound notes
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