tert-Butyl 4-nitrophenylcarbamate
Basic information
- CAS
18437-63-3- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
XZBFRRXPMQLVPL-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- tert-Butyl 4-nitrophenylcarbamate
- IUPAC
- tert-butyl N-(4-nitrophenyl)carbamate
- English name
- tert-Butyl 4-nitrophenylcarbamate
- Molecular formula
- C11H14N2O4
- Molecular weight
- 238.24
Names & synonyms
tert-Butyl 4-nitrophenylcarbamate18437-63-3tert-Butyl (4-nitrophenyl)carbamatetert-Butyl N-(4-nitrophenyl)carbamateMFCD01006654DTXSID70338009tert-Butyl 4-nitrophenylcarbamate #AKOS014476581BS-25462CS-0187656tert-butyl4-nitrophenylcarbamatetert-Butyl(4-nitrophenyl)carbamate
Show more names
1-N-Boc-4-nitroaniline4-Nitro-N-(tert-butoxycarbonyl)anilineN-(tert-Butoxycarbonyl)-4-nitroaniline(4-Nitrophenyl)carbamic acid 1,1-dimethylethyl esterCarbamic acid, N-(4-nitrophenyl)-, 1,1-dimethylethyl ester
AMY36722N-Boc-4-nitroanilineFT-0682391SCHEMBL1532248SCHEMBL27917279AB2752SY022959DB-065475
Database identifiers
- CAS
18437-63-3- PubChem CID
- 545874
- DTXSID
DTXSID70338009- EC Number
- 879-655-7
- Nikkaji
- J714.994H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 112 · 112-113 °C
- Boiling point
- 313.8 · 313.8±25.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.65 · 12.65±0.70(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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