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Substance Name: tert-Butyl nitrite
RN: 540-80-7
UNII: 4780H7U8LU
InChIKey: IOGXOCVLYRDXLW-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H9-N-O2

Molecular Weight

  • 103.12
 
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Names and Synonyms

Name of Substance

  • tert-Butyl nitrite

Synonyms

  • 1,1-Dimethylethyl nitrite
  • 4-01-00-01622 (Beilstein Handbook Reference)
  • alpha,alpha-Dimethylethyl nitrite
  • BRN 1209339
  • CCRIS 2098
  • EINECS 208-757-0
  • tert-Butyl nitrite
  • UNII-4780H7U8LU

Systematic Names

  • Nitrous acid, 1,1-dimethylethyl ester (9CI)
  • Nitrous acid, t-butyl ester
  • tert-Butyl nitrite

Registry Numbers

CAS Registry Number

  • 540-80-7

FDA UNII

  • 4780H7U8LU

System Generated Number

  • 0000540807

Structure Descriptors

InChI

1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3

InChIKey

IOGXOCVLYRDXLW-UHFFFAOYSA-N

Smiles

O(C(C)(C)C)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 10852ppm/1H (10852ppm) 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 187mg/kg (187mg/kg) LIVER: OTHER CHANGES Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
mouse LD50 oral 308mg/kg (308mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LIVER: OTHER CHANGES
Research Communications in Substances Abuse. Vol. 3, Pg. 233, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 63 deg C   EXP
log P (octanol-water) 2.240 (none)   EST
Atmospheric OH Rate Constant 6.32E-13 cm3/molecule-sec 25 EST

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