Basic information
- CAS
2648-11-5- Standard SMILES
O=C(Nc1ccccc1)OC(c1ccccc1)C(F)(F)F- InChIKey
KXLYRPXGMALCIH-UHFFFAOYSA-N- Molecular formula
- C15H12F3NO2
- Average molar mass
- 295.26 g/mol
- Monoisotopic mass
- 295.08201311
Names & identifiers
- Preferred name
- Phenyl-carbamic acid 2,2,2-trifluoro-1-phenyl-ethyl ester
- IUPAC
- (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate
- English name
- 2,2,2-trifluoro-1-phenylethyl phenylcarbamate
- Molecular formula
- C15H12F3NO2
- Molecular weight
- 295.2564896
Names & synonyms
2648-11-5RefChem:861681phenyl-carbamic acid 2,2,2-trifluoro-1-phenyl-ethyl ester635-393-32,2,2-trifluoro-1-phenylethyl phenylcarbamate2,2,2-trifluoro-1-phenylethyl N-phenylcarbamateAKOS022136472Z56757760Benzenemethanol, α-(trifluoromethyl)-, 1-(N-phenylcarbamate)
Database identifiers
- CAS
2648-11-5- PubChem CID
- 3697950
- EC Number
- 635-393-3
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 311.6 · 311.6±42.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- pka
- 12.67 · 12.67±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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