Basic information
- CAS
591-09-3- Standard SMILES
CC(=O)O[N+](=O)[O-]- InChIKey
JCZMXVGQBBATMY-UHFFFAOYSA-N- Molecular formula
- C2H3NO4
- Average molar mass
- 105.05 g/mol
- Monoisotopic mass
- 105.00620758
Names & identifiers
- Preferred name
- Acetyl nitrate
- IUPAC
- nitro acetate
- English name
- nitro acetate
- Molecular formula
- C2H3NO4
- Molecular weight
- 105.05
Names & synonyms
Acetyl nitrate591-09-3BRN 1751232UNII-79CY6496CR79CY6496CRAcetic acid anhydride with nitric acidACETYL NITRATE [MI]ACETIC ACID, ANHYDRIDE with NITRIC ACID (1:1)DTXSID402078394-02-00-00435 (Beilstein Handbook Reference)RefChem:109065DTXCID40130330
Show more names
Acetic acid, anhydride with nitric acid
nitro acetateCH3COONO2nitric acid-acetic anhydrideSCHEMBL37159JCZMXVGQBBATMY-UHFFFAOYSA-NQ22668698
Database identifiers
- CAS
591-09-3- PubChem CID
- 11557
- DTXSID
DTXSID40207839- UNII
- 79CY6496CR
- Nikkaji
- J1.099.378D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 92.4
Physicochemical properties
- Boiling point
- 70 · bp70 22°
- Density
- 415 · d415 1.24
- refractive index
- 1.4264 · 1.4264 (estimate)
- solubility
- Miscible with common organic solvents
- form
- colorless, mobile liquid
- FDA UNII
- 79 CY6496CR · 79CY6496CR
Chemistry & industry
Applications
UsesNitro acetate is used as a nitrating agent for arenes and selected nonaromatics;can functionalize alkenes to β-nitroacetates;oxidizes thioethers and disulfides to sulfoxides.
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
21 records
Compound notes
Loading…