Methyl m-trifluoromethylcarbanilate
Basic information
- CAS
18584-93-5- Standard SMILES
COC(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
NRXWBPKDKRPCTE-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO2
- Average molar mass
- 219.16 g/mol
- Monoisotopic mass
- 219.05071298
Names & identifiers
- Preferred name
- Methyl m-trifluoromethylcarbanilate
- IUPAC
- methyl N-[3-(trifluoromethyl)phenyl]carbamate
- English name
- METHYL M-TRIFLUOROMETHYLCARBANILATE
- Molecular formula
- C9H8F3NO2
- Molecular weight
- 219.16
Names & synonyms
Methyl m-trifluoromethylcarbanilate18584-93-5Methyl N-(3-trifluoromethylphenyl)carbamateDTXSID60171801RefChem:157939DTXCID9094292NRXWBPKDKRPCTE-UHFFFAOYSA-Nmethyl N-[3-(trifluoromethyl)phenyl]carbamateMethyl 3-(trifluoromethyl)carbanilateMETHYLM-TRIFLUOROMETHYLCARBANILATEMethyl (3-(trifluoromethyl)phenyl)carbamateMFCD00018024
Show more names
TIMTEC-BB SBB008105Methyl 3-(trifluoromethyl)phenylcarbamateN-[3-(trifluoromethyl)phenyl]carbamic acid methyl esterCarbamic acid, N-[3-(trifluoromethyl)phenyl]-, methyl ester
Methyl [3-(trifluoromethyl)phenyl]carbamatemethoxy-N-[3-(trifluoromethyl)phenyl]carboxamideRegorafenib Impurity 119SCHEMBL515007SCHEMBL515008SBB008105AKOS003670118HS-6903
Database identifiers
- CAS
18584-93-5- PubChem CID
- 140396
- DTXSID
DTXSID60171801- Nikkaji
- J1.601.042A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP2.74
Physicochemical properties
- Boiling point
- 196.1 · 196.1±40.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- 13.32 · 13.32±0.70(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924297099
- hazard_code
- Xi
- hazard_note
- Irritant
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Related reactions
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Compound notes
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