1-Chloro-2-trifluoromethanesulfonylethane
Basic information
- CAS
18450-56-1- Standard SMILES
O=S(=O)(CCCl)C(F)(F)F- InChIKey
OKSNWBPKLICXKA-UHFFFAOYSA-N- Molecular formula
- C3H4ClF3O2S
- Average molar mass
- 196.58 g/mol
- Monoisotopic mass
- 195.9572627
Names & identifiers
- Preferred name
- 1-Chloro-2-trifluoromethanesulfonylethane
- IUPAC
- 1-chloro-2-(trifluoromethylsulfonyl)ethane
Names & synonyms
1-chloro-2-trifluoromethanesulfonylethane18450-56-1RefChem:431251970-296-21-chloro-2-(trifluoromethylsulfonyl)ethane1-chloro-2-(trifluoromethane)sulfonylethaneSCHEMBL13850323TAA45056AKOS026730376CS-0261317EN300-78122
Database identifiers
- CAS
18450-56-1- PubChem CID
- 54593604
- EC Number
- 970-296-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 189
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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