Basic information
- CAS
141940-37-6- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1- InChIKey
FZVYCWGVGYAURC-UHFFFAOYSA-N- Molecular formula
- C12H14F3NO2
- Average molar mass
- 261.24 g/mol
- Monoisotopic mass
- 261.09766335
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl N-[4-(trifluoromethyl)phenyl]carbamate
- IUPAC
- tert-butyl N-[4-(trifluoromethyl)phenyl]carbamate
- English name
- TERT-BUTYL 2-NITRO-4-(TRIFLUOROMETHYL)PHENYLCARBAMATE
- Molecular formula
- C12H14F3NO2
- Molecular weight
- 261.24
Names & synonyms
141940-37-61,1-Dimethylethyl N-[4-(trifluoromethyl)phenyl]carbamate1,1-Dimethylethyl N-(4-(trifluoromethyl)phenyl)carbamateRefChem:214020Tert-butyl N-[4-(trifluoromethyl)phenyl]carbamatetert-Butyl (4-(trifluoromethyl)phenyl)carbamateTERT-BUTYL 4-(TRIFLUOROMETHYL)PHENYLCARBAMATEMFCD09859792Carbamic acid, N-[4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl estertert-Butyl 4-(trifluoromethyl)-phenylcarbamateCarbamic acid, [4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl estertert-butyl[4-(trifluoromethyl)phenyl]carbamate
Show more names
N-Boc-4-(trifluoromethyl)aniline4-(trifluoromethyl)phenylcarbamatet-Butyl 4-(trifluoromethyl)phenylcarbamateTERT-BUTYL 2-NITRO-4-(TRIFLUOROMETHYL)PHENYLCARBAMATE
tert-butyl [4-(trifluoromethyl)phenyl]carbamatetert-Butyl(4-(trifluoromethyl)phenyl)carbamateN-(tert-Butoxycarbonyl)-4-(trifluoromethyl)anilineN-BOC-4-TRIFLUOEMETHYLANILINE4-(boc-amino)benzotrifluorideSCHEMBL1138925SCHEMBL4422986CHEMBL4103407
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 123 · 123-124 °C
- Boiling point
- 249.4 · 249.4±40.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 13.15 · 13.15±0.70(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers29 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
Related reactions
13 records
Compound notes
Loading…