3-(2-Chloro-ethanesulfonyl)-2-methyl-propionamide
Basic information
- CAS
71093-00-0- Standard SMILES
CC(CS(=O)(=O)CCCl)C(N)=O- InChIKey
UIPUDJWUPAWJEL-UHFFFAOYSA-N- Molecular formula
- C6H12ClNO3S
- Average molar mass
- 213.68 g/mol
- Monoisotopic mass
- 213.0226421
Names & identifiers
- Preferred name
- 3-(2-Chloro-ethanesulfonyl)-2-methyl-propionamide
- IUPAC
- 3-(2-chloroethylsulfonyl)-2-methylpropanamide
- English name
- 3-(2-chloroethanesulfonyl)-2-methylpropanamide
- Molecular formula
- C6H12ClNO3S
- Molecular weight
- 213.68238
Names & synonyms
3-(2-CHLORO-ETHANESULFONYL)-2-METHYL-PROPIONAMIDERefChem:49084971093-00-0684-660-0AKOS0243316533-(2-chloroethanesulfonyl)-2-methylpropanamide
Database identifiers
- CAS
71093-00-0- PubChem CID
- 3448015
- EC Number
- 684-660-0
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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