Basic information
- CAS
20633-11-8- Standard SMILES
CCCCCCO[N+](=O)[O-]- InChIKey
AGDYNDJUZRMYRG-UHFFFAOYSA-N- Molecular formula
- C6H13NO3
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.08954328
Names & identifiers
- Preferred name
- Nitric acid, hexyl ester
- IUPAC
- hexyl nitrate
- English name
- hexyl nitrate
- Molecular formula
- C6H13NO3
- Molecular weight
- 147.17
Names & synonyms
HEXYL NITRATENitric acid, hexyl esterQZY6PB9CHVEINECS 243-928-3DTXSID8066636RefChem:166060DTXCID4036358243-928-3AGDYNDJUZRMYRG-UHFFFAOYSA-N20633-11-8n-Hexyl nitrateHexyl nitrate #
Show more names
1-Nitrooxyhexane
UNII-QZY6PB9CHVSCHEMBL36624SCHEMBL3402930SCHEMBL3402931AKOS040767084DB-254928NS00026703
Database identifiers
- CAS
20633-11-8、72245-27-3- PubChem CID
- 30209
- DTXSID
DTXSID8066636- UNII
- QZY6PB9CHV
- EC Number
- 243-928-3
- Nikkaji
- J103.222D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 89.5
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrates and Nitrites
Vapor Pressure1.58 [mmHg]
Physicochemical properties
- Melting point
- 0 °C · 0°C
- Boiling point
- 177.28 °C · 177.28°C (estimate)
- Density
- 1.0476 · 1.0476 (estimate)
- refractive index
- 1.4143 · 1.4143 (estimate)
- Henry's Law Constant
- 7.6 · 7.6×10-3 mol/(m3Pa) at 25℃, Hauff et al. (1998)
- Stability
- Possibly unstable. May be shock sensitive.
- FDA UNII
- 6 PB9CHV · QZY6PB9CHV
- EPA Substance Registry System
- Nitric acid, hexyl ester (20633-11-8)
- 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.
Hazard information
Regulatory InformationChemical: Nitric acid, hexyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummarySee Amyl nitrate.
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNitric acid, hexyl ester: INACTIVE
Upstream & downstream products
Downstream products
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
Loading…