Butyl nitrate

Butyl nitrate

Names
Preferred IUPAC name Butyl nitrate
Other names Nitric acid butyl ester; 1-Nitrooxy-butane
Identifiers
CAS Number	928-45-0 N
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL249809 Y
ChemSpider	12978 Y
ECHA InfoCard	100.011.976
EC Number	213-172-9
PubChem CID	13567
UNII	00YK6AM7PG
CompTox Dashboard (EPA)	DTXSID70239143
InChI InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3 Y Key: QQHZPQUHCAKSOL-UHFFFAOYSA-N Y InChI=1/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3 Key: QQHZPQUHCAKSOL-UHFFFAOYAQ
SMILES [O-][N+](=O)OCCCC
Properties
Chemical formula	C4H9NO3
Molar mass	119.120 g·mol−1
Appearance	Colorless oil
Density	1.047 g/cm3
Melting point	0 °C (32 °F; 273 K)
Boiling point	133 °C (271 °F; 406 K)
Solubility in water	1120 mg/L
Vapor pressure	9.6 mmHg
Hazards
GHS labelling:
Pictograms
Flash point	49.9 °C (121.8 °F; 323.0 K)
Related compounds
Related hydrocarbons	Cyclopentanone
Related compounds	nitric acid, butyl ester
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

Butyl nitrate is a colorless oil. It is often confused with butyl nitrite, which is sometimes used as a recreational inhalant.

Safety

Butyl nitrate is an explosive. It reacts explosively with Lewis acids such as boron trifluoride and aluminium chloride. When heated to decomposition, it emits fumes of nitrous oxide.

References

• "Nitric Acid, Butylester." Butyl Nitrate (928-45-0), Butyl Nitrate (928-45-0) Manufacturers & Suppliers, Synthesis, MSDS. N.p., n.d. Web. 11 Oct. 2012.
• Osterloh J, Goldfield D (1984). "Butyl nitrite transformation in vitro, chemical nitrosation reactions, and mutagenesis". Journal of Analytical Toxicology. 8 (4): 164–9. doi:10.1093/jat/8.4.164. PMID 6471815.