Basic information
- CAS
115719-94-3- Standard SMILES
CC(C)(C)NS(=O)(=O)CCl- InChIKey
VZAHIKRUKJZYOE-UHFFFAOYSA-N- Molecular formula
- C5H12ClNO2S
- Average molar mass
- 185.67 g/mol
- Monoisotopic mass
- 185.0277275
Names & identifiers
- Preferred name
- N-tert-butyl-1-chloromethanesulfonamide
- IUPAC
- N-tert-butyl-1-chloromethanesulfonamide
Names & synonyms
N-tert-butyl-1-chloromethanesulfonamide115719-94-3RefChem:831130835-489-7N-(TERT-BUTYL)(CHLORO)METHANESULFONAMIDEN-(TERT-BUTYL)-1-CHLOROMETHANESULFONAMIDEMethanesulfonamide, 1-chloro-N-(1,1-dimethylethyl)-NSC135443SCHEMBL2422228VZAHIKRUKJZYOE-UHFFFAOYSA-NQEA71994AKOS012977026
Show more names
AT16446NSC-135443N-tert-butyl-1-chloro-methanesulfonamideN-tert-butyl-C-chloro-methanesulfonamideDB-172819CS-0214831EN300-197410F639644
Database identifiers
- CAS
115719-94-3- PubChem CID
- 282245
- EC Number
- 835-489-7
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 187
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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
5 records
Compound notes
Loading…