Basic information
- CAS
98911-33-2- Standard SMILES
CC(C)(C)OC(=O)Cc1ccccc1[N+](=O)[O-]- InChIKey
ONTPUCLBHILDKY-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- Tert-butyl 2-(2-nitrophenyl)acetate
- IUPAC
- tert-butyl 2-(2-nitrophenyl)acetate
Names & synonyms
Tert-butyl 2-(2-nitrophenyl)acetate98911-33-2SCHEMBL8805015SCHEMBL28031448ONTPUCLBHILDKY-UHFFFAOYSA-Nt-butyl 2-(2-nitrophenyl)acetateAKOS018719563
Database identifiers
- CAS
98911-33-2- PubChem CID
- 11622800
- EC Number
- 118-331-5
- Nikkaji
- J1.953.319K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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