Basic information
- CAS
104-30-3- Standard SMILES
CC(=O)OCCc1ccc([N+](=O)[O-])cc1- InChIKey
PZCUSZBIRGTJPZ-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 4-Nitrophenethyl acetate
- IUPAC
- 2-(4-nitrophenyl)ethyl acetate
- English name
- p-nitrophenethyl acetate
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.19864
Names & synonyms
p-Nitrophenethyl acetate104-30-34-nitrophenethyl acetateP-NITROPHENETHYL ALCOHOL, ACETATEBenzeneethanol, 4-nitro-, acetate (ester)8K4U2L5EKGBenzeneethanol, 4-nitro-, 1-acetateEINECS 203-193-1Phenethyl alcohol, p-nitro-, acetateNSC-190939AI3-35598DTXSID5059294
Show more names
Benzeneethanol,4-nitro-, 1-acetate
RefChem:525963DTXCID7032842Phenethyl alcohol, p-nitro-, acetate (8CI)203-193-12-(4-nitrophenyl)ethyl acetateUNII-8K4U2L5EKGSCHEMBL9316221Benzeneethanol, acetate (ester)
Database identifiers
- CAS
104-30-3- PubChem CID
- 7698
- DTXSID
DTXSID5059294- UNII
- 8K4U2L5EKG
- EC Number
- 203-193-1
- Nikkaji
- J31.540K
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 228
Physicochemical properties
- FDA UNII
- 8 K4U2L5EKG · 8K4U2L5EKG
- EPA Substance Registry System
- 4 · Benzeneethanol, 4-nitro-, acetate (ester) (104-30-3)
- 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 InformationBenzeneethanol, 4-nitro-, 1-acetate: INACTIVE
Suppliers1 total
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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