2,2,2-Trifluoroethyl sulfamate
Basic information
- CAS
92720-79-1- Standard SMILES
NS(=O)(=O)OCC(F)(F)F- InChIKey
VJYFIYOHHYIOMA-UHFFFAOYSA-N- Molecular formula
- C2H4F3NO3S
- Average molar mass
- 179.12 g/mol
- Monoisotopic mass
- 178.98639865
Names & identifiers
- Preferred name
- 2,2,2-Trifluoroethyl sulfamate
- IUPAC
- 2,2,2-trifluoroethyl sulfamate
Names & synonyms
2,2,2-trifluoroethyl sulfamate92720-79-1Sulfamic acid 2,2,2-trifluoro-ethyl esterCHEMBL153068SCHEMBL3371134BDBM50136090EN300-1987666
Database identifiers
- CAS
92720-79-1- PubChem CID
- 13360355
- ChEMBL
CHEMBL153068- EC Number
- 171-232-9
- Nikkaji
- J3.509.100I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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%)
Suppliers
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Related reactions
2 records
Compound notes
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