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Substance Name: Isobutyl nitrite
RN: 542-56-3
UNII: GW9WAB6QOM
InChIKey: APNSGVMLAYLYCT-UHFFFAOYSA-N

Note

  • ''recreational'' drug of abuse, sniffed.

Molecular Formula

  • C4-H9-N-O2

Molecular Weight

  • 103.12
 

Classification Codes

Classification Codes

  • Cardiovascular Agents
  • Human Data
  • Mutation Data
  • Tumor Data
  • Vasodilator Agents

Superlist Classification Code

  • Ceiling: 1 ppm inhalable fraction vapor and aerosol; Confirmed animal carcinogen with unknown relevance to humans; BEI
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Names and Synonyms

Name of Substance

  • Isobutyl nitrite

Synonyms

  • 4-01-00-01595 (Beilstein Handbook Reference)
  • Blackjack
  • BRN 1699518
  • CCRIS 1099
  • EINECS 208-819-7
  • HSDB 4368
  • IBN
  • Isobutyl nitrite
  • NCI-C61052
  • Nitrous acid, 2-methylpropyl ester
  • Nitrous acid, isobutyl ester
  • UNII-GW9WAB6QOM

Systematic Names

  • Isobutyl nitrite
  • Nitrous acid, 2-methylpropyl ester
  • Nitrous acid, isobutyl ester

Superlist Name

  • Isobutyl nitrite

Registry Numbers

CAS Registry Number

  • 542-56-3

FDA UNII

  • GW9WAB6QOM

System Generated Number

  • 0000542563

Structure Descriptors

InChI

1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3

InChIKey

APNSGVMLAYLYCT-UHFFFAOYSA-N

Smiles

C(C(C)C)ON=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 120mg/kg (120mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

CARDIAC: CHANGE IN RATE
Annals of Internal Medicine. Vol. 92, Pg. 637, 1980.
mouse LC50 inhalation 1033ppm/1H (1033ppm) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Fundamental and Applied Toxicology. Vol. 1, Pg. 448, 1981.
mouse LD50 intraperitoneal 184mg/kg (184mg/kg) LIVER: OTHER CHANGES Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
mouse LD50 oral 205mg/kg (205mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LIVER: OTHER CHANGES
Research Communications in Substances Abuse. Vol. 3, Pg. 233, 1982.
rat LC50 inhalation 777ppm/4H (777ppm) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Fundamental and Applied Toxicology. Vol. 8, Pg. 101, 1987.
rat LD50 oral 410mg/kg (410mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 41, Pg. 1583, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 67 deg C   EXP
log P (octanol-water) 2.280 (none)   EST
Atmospheric OH Rate Constant 3.06E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.