472697
Isobutyl nitrate
96%
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About This Item
Linear Formula:
(CH3)2CHCH2ONO2
CAS Number:
Molecular Weight:
119.12
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
208-842-2
MDL number:
Quality Level
assay
96%
refractive index
n20/D 1.402 (lit.)
bp
123 °C (lit.)
density
1.015 g/mL at 25 °C (lit.)
SMILES string
CC(C)CO[N+]([O-])=O
InChI
1S/C4H9NO3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
InChI key
LNNXFUZKZLXPOF-UHFFFAOYSA-N
General description
Isobutyl nitrate is an organic nitrate. Its Raman and infrared spectra have been reported. It is formed during the liquid-phase decomposition of i-C4H9C(O)OONO2.
signalword
Danger
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
69.8 °F - closed cup
flash_point_c
21 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Direct demonstration of NO formation in vivo from organic nitrites and nitrates, and correlation to effects on blood pressure and to in vitro effects.
Cederqvist B, et al.
Biochemical Pharmacology, 47(6), 1047-1053 (1994)
C L Gaworski et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 19(2), 169-175 (1992-08-01)
Isobutyl nitrite (IBN) is a volatile liquid that has become increasingly popular as an inhaled recreational drug. To investigate short-term toxic effects and establish exposure parameters for chronic inhalation studies, F344/N rats and B6C3F1 mice were exposed to IBN vapors
T Zimmermann et al.
European journal of pharmacology, 192(1), 181-184 (1991-01-03)
This study includes the first systematic comparison of an organic nitrate with the corresponding organic nitrite-isobutyl nitrate and isobutyl nitrite. The spasmolytic activity of the nitrite on isolated rabbit aortic strips was stronger, more rapid in onset, but less stable