Basic information
- CAS
68966-79-0- Standard SMILES
CC(=O)OCCc1ccccc1[N+](=O)[O-]- InChIKey
JTDNAYJQWWTNDA-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- o-Nitrophenethyl acetate
- IUPAC
- 2-(2-nitrophenyl)ethyl acetate
- English name
- o-nitrophenethyl acetate
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.19864
Names & synonyms
833-43-22-nitrophenethyl acetate2-Nitrobenzeneethanol acetate2-Nitrobenzeneethanol, acetateBenzeneethanol, 2-nitro-, acetate (ester)Benzeneethanol, 2-nitro-, 1-acetateBenzeneethanol, ar-nitro-, acetate (ester)o-Nitrophenethyl acetate68966-79-0Nitrophenylethyl acetatear-Nitrophenethyl acetateEINECS 212-628-4
Show more names
2-(2-nitrophenyl)ethyl acetateBenzeneethanol,2-nitro-, 1-acetateAcetic acid 2-nitrophenethyl esterAcetic acid 2-(2-nitrophenyl)ethyl ester
EINECS 273-446-9Benzeneethanol, ar-nitro-, 1-acetateO-NITROPHENETHYL ALCOHOL, ACETATEAI3-35599LRA535EHD7SCHEMBL7421292DTXSID501358546Benzeneethanol, 2-nitro-, acetate
Database identifiers
- CAS
68966-79-0、833-43-2- PubChem CID
- 13261
- DTXSID
DTXSID501358546- UNII
- LRA535EHD7
- EC Number
- 212-628-4、273-446-9
- Nikkaji
- J31.539G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Nitrobenzeneethanol, acetate (833-43-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Benzeneethanol, 2-nitro-, 1-acetate: INACTIVE
Benzeneethanol, ar-nitro-, 1-acetate: INACTIVE
Suppliers3 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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