benzyl N-(3-(trifluoromethyl)phenyl)carbamate
Basic information
- CAS
18585-04-1- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccccc1- InChIKey
KRTABQHKTWKZOZ-UHFFFAOYSA-N- Molecular formula
- C15H12F3NO2
- Average molar mass
- 295.26 g/mol
- Monoisotopic mass
- 295.08201311
Names & identifiers
- Preferred name
- benzyl N-(3-(trifluoromethyl)phenyl)carbamate
- IUPAC
- benzyl N-[3-(trifluoromethyl)phenyl]carbamate
- English name
- Carbanilic acid, m-(trifluoromethyl)-, benzyl ester (8CI)
- Molecular formula
- C15H12F3NO2
- Molecular weight
- 295.2564896
Names & synonyms
Benzyl N-[3-(trifluoromethyl)phenyl]carbamate18585-04-1benzyl N-(3-(trifluoromethyl)phenyl)carbamateRefChem:566807664-954-5Carbanilic acid, m-(trifluoromethyl)-, benzyl ester (8CI)SCHEMBL19688778KRTABQHKTWKZOZ-UHFFFAOYSA-NAKOS024335620benzyl 3-(trifluoromethyl)phenylcarbamateBenzyl [3-(Trifluoromethyl)Phenyl]Carbamate
Database identifiers
- CAS
18585-04-1- PubChem CID
- 5201332
- EC Number
- 664-954-5
- Nikkaji
- J2.519.829H
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 340
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 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 CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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