3,3-Dimethyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
Basic information
- CAS
141653-49-8- Standard SMILES
CC1(C)COc2ccc(S(=O)(=O)Cl)cc21- InChIKey
YHAMGSLQVPEDTQ-UHFFFAOYSA-N- Molecular formula
- C10H11ClO3S
- Average molar mass
- 246.71 g/mol
- Monoisotopic mass
- 246.0117431
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
- IUPAC
- 3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride
Names & synonyms
141653-49-8DTXSID005938463,3-Dimethyl-2,3-dihydro-1-benzofuran-5-sulfonyl chlorideRefChem:270362DTXCID30544609846-434-13,3-dimethyl-2,3-dihydrobenzofuran-5-sulfonyl chloride5-Benzofuransulfonyl chloride, 2,3-dihydro-3,3-dimethyl-3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chlorideSCHEMBL5656647YHAMGSLQVPEDTQ-UHFFFAOYSA-NDB-408586
Show more names
EN300-2856922,3-Dihydro-3,3-dimethyl-5-benzofuransulfonyl chloride3,3-dimethyl-2,3-dihydro-benzofuran-5-sulfonyl chloride
Database identifiers
- CAS
141653-49-8- PubChem CID
- 18445401
- DTXSID
DTXSID00593846- EC Number
- 846-434-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 344
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, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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