Basic information
- CAS
370-56-9- Standard SMILES
CC(C)OC(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
BXBUGIFDTNEDNS-UHFFFAOYSA-N- Molecular formula
- C11H12F3NO2
- Average molar mass
- 247.21 g/mol
- Monoisotopic mass
- 247.08201311
Names & identifiers
- Preferred name
- Isopropyl m-trifluoromethylcarbanilate
- IUPAC
- propan-2-yl N-[3-(trifluoromethyl)phenyl]carbamate
- English name
- iso-Propyl m-trifluoromethylcarbanilate
- Molecular formula
- C11H12F3NO2
- Molecular weight
- 247.21
Names & synonyms
Isopropyl m-trifluoromethylcarbanilateIsopropyl N-(3-trifluoromethylphenyl)carbamateDTXSID60190491NSC 55833RefChem:149827DTXCID70112982BXBUGIFDTNEDNS-UHFFFAOYSA-N370-56-9iso-Propyl m-trifluoromethylcarbanilatepropan-2-yl N-[3-(trifluoromethyl)phenyl]carbamateIsopropylm-trifluoromethylcarbanilateMFCD00018023
Show more names
TIMTEC-BB SBB008110Isopropyl 3-(trifluoromethyl)phenylcarbamatem-Trifluoromethyl-carbanilic acid isopropyl esterN-[3-(trifluoromethyl)phenyl]carbamic acid isopropyl esterN-[3-(trifluoromethyl)phenyl]carbamic acid propan-2-yl esterCarbamic acid, N-[3-(trifluoromethyl)phenyl]-, 1-methylethyl ester
isopropyl N-[3-(trifluoromethyl)phenyl]carbamateIsopropyl 3-(trifluoromethyl)carbanilate(methylethoxy)-N-[3-(trifluoromethyl)phenyl]carboxamideA823513SCHEMBL9335041NSC55833NSC-55833SBB008110
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 231.5 · 231.5±40.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 13.19 · 13.19±0.70(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2918199890 · 2918199890
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
- 2918199890
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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