N-(tert-butyl)-2-nitrobenzamide
Basic information
- CAS
41225-78-9- Standard SMILES
CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-]- InChIKey
BMADOZDALQJUFQ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- N-(tert-butyl)-2-nitrobenzamide
- IUPAC
- N-tert-butyl-2-nitrobenzamide
- English name
- N-(tert-butyl)-2-nitrobenzamide
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24
Names & synonyms
N-(tert-butyl)-2-nitrobenzamide41225-78-9N-tert-butyl-2-nitrobenzamideMFCD01163452Benzamide, N-(1,1-dimethylethyl)-2-nitro-N-tert-Butyl-2-nitro-benzamideOprea1_280783SCHEMBL5508488BMADOZDALQJUFQ-UHFFFAOYSA-NALBB-024215STK022348AKOS000670529
Show more names
LS-07833N-(tert-butyl)(2-nitrophenyl)carboxamideST010761CS-0320110H34434SR-01000310913SR-01000310913-1
Database identifiers
- CAS
41225-78-9- PubChem CID
- 710774
- EC Number
- 141-025-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 371.6 · 371.6±25.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.46(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
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Related reactions
11 records
Compound notes
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