Tert-butyl 5-[(chlorosulfonyl)methyl]-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate
Basic information
- CAS
2225144-48-7- Standard SMILES
CC(C)(C)OC(=O)N1CC2(CC(=O)OC2CS(=O)(=O)Cl)C1- InChIKey
HENZEOXALVVECJ-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO6S
- Average molar mass
- 339.79 g/mol
- Monoisotopic mass
- 339.0543362
Names & identifiers
- Preferred name
- Tert-butyl 5-[(chlorosulfonyl)methyl]-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate
- IUPAC
- tert-butyl 5-(chlorosulfonylmethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate
Names & synonyms
2225144-48-7tert-butyl 5-[(chlorosulfonyl)methyl]-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylatetert-Butyl 5-((chlorosulfonyl)methyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylatetert-butyl 5-(chlorosulfonylmethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylatestarbld0001482EN300-1707697
Database identifiers
- CAS
2225144-48-7- PubChem CID
- 137963902
- EC Number
- 172-224-8
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 555
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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