Basic information
- CAS
924-52-7- Standard SMILES
CCC(C)O[N+](=O)[O-]- InChIKey
DYONNFFVDNILGI-UHFFFAOYSA-N- Molecular formula
- C4H9NO3
- Average molar mass
- 119.12 g/mol
- Monoisotopic mass
- 119.05824315
Names & identifiers
- Preferred name
- 2-Butyl nitrate
- IUPAC
- butan-2-yl nitrate
- English name
- sec-butylnitrate
- Molecular formula
- C4H9NO3
- Molecular weight
- 119.12
Names & synonyms
2-Butyl nitrate2Butyl nitrateRefChem:468094butan-2-yl nitratesec-Butyl NitrateNitric acid, 1-methylpropyl ester924-52-7Butane-2-nitrateNitric acid, sec-butyl esterC2H5CH(CH3)ONO2SCHEMBL324234SCHEMBL7265440
Show more names
2-Nitrooxybutanesec-butylnitratebutan-2-ylnitrate1-Methylpropyl nitrateNitric acid sec-butyl esterNitric acid (1-methylpropyl) ester
SCHEMBL27634149DTXSID00871813DYONNFFVDNILGI-UHFFFAOYSA-NAKOS040767443
Database identifiers
- CAS
924-52-7- PubChem CID
- 79123
- DTXSID
DTXSID00871813- Nikkaji
- J101.068I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.8
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- -111.59 °C · -111.59°C (estimate)
- Boiling point
- 124 °C · 124°C
- Density
- 1.0264 · 1.0264
- refractive index
- 1.4015 · 1.4015
- Henry's Law Constant
- 6.4 · 6.4×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…