Basic information
- CAS
81265-32-9- Standard SMILES
O=C(OCC(F)(F)F)n1ccnc1- InChIKey
VHSLGTPKFRBITL-UHFFFAOYSA-N- Molecular formula
- C6H5F3N2O2
- Average molar mass
- 194.11 g/mol
- Monoisotopic mass
- 194.03031189
Names & identifiers
- Preferred name
- N-(2,2,2-trifluoroethoxycarbonyl)imidazole
- IUPAC
- 2,2,2-trifluoroethyl imidazole-1-carboxylate
- English name
- N-(2,2,2-trifluoroethoxycarbonyl)imidazole
- Molecular formula
- C6H5F3N2O2
- Molecular weight
- 194.11
Names & synonyms
81265-32-9N-(2,2,2-Trifluoroethoxycarbonyl)imidazole2,2,2-Tfi1H-Imidazole-1-carboxylic acid, 2,2,2-trifluoroethyl esterDTXSID00231014RefChem:161498DTXCID001535052,2,2-trifluoroethyl 1H-imidazole-1-carboxylate2,2,2-trifluoroethyl imidazole-1-carboxylateMFCD25967441SCHEMBL121852581H-Imidazole-1-carboxylicacid, 2,2,2-trifluoroethyl ester
Show more names
2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate 98%
VHSLGTPKFRBITL-UHFFFAOYSA-NSY474012DB-1339902,2,2-trifluoroethyl1H-imidazole-1-carboxylate
Database identifiers
- CAS
81265-32-9- PubChem CID
- 133643
- DTXSID
DTXSID00231014- EC Number
- 821-073-2
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 211.3 · 211.3±50.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 2.96 · 2.96±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261
- HS Code
- 2933299090 · 2933299090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261
Chemistry & industry
Suppliers1 total
杭州亦宁医药技术有限公司18458316404 18157189925 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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