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472697

Sigma-Aldrich

Isobutyl nitrate

96%

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About This Item

Linear Formula:
(CH3)2CHCH2ONO2
CAS Number:
543-29-3
Molecular Weight:
119.12
EC Number:
208-842-2
MDL number:
MFCD00010444
UNSPSC Code:
12352100
PubChem Substance ID:
24870818

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

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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.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

69.8 °F - closed cup

Flash Point(C)

21 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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)
AIDS alert, 19(6), 61-61 (2004-07-27)
Researchers and experts on the use of inhaled nitrates among men who have sex with men (MSM) say clinicians, public health officials, and AIDS groups are ignoring the impact of poppers, a popular party inhalant, on HIV risk behaviors and
Formation and thermal decomposition of butyl-substituted peroxyacyl nitrates: n-C4H9C(O) OONO2 and i-C4H9C(O)OONO2.
Grosjean D, et al.
Environmental Science & Technology, 28(6), 1099-1105 (1994)
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
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
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