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Substance Name: Butanenitrile, 3,3-dimethyl-2-oxo-
RN: 42867-40-3
InChIKey: NPBLQPWAISGYEU-UHFFFAOYSA-N

Molecular Formula

  • C6-H9-N-O

Molecular Weight

  • 111.143
 
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Names and Synonyms

Synonyms

  • 3,3-Dimethyl-2-oxobutanenitrile
  • EINECS 255-978-3
  • Pivaloyl cyanide
  • Trimethylacetyl cyanide
  • Trimethylbrenztraubensaurenitril
  • Trimethylbrenztraubensaurenitril [German]
  • Trimethylpyruvonitrile

Systematic Names

  • 3,3-Dimethyl-2-oxobutyronitrile
  • Butanenitrile, 3,3-dimethyl-2-oxo-

Registry Numbers

CAS Registry Number

  • 42867-40-3

System Generated Number

  • 0042867403

Structure Descriptors

InChI

1S/C6H9NO/c1-6(2,3)5(8)4-7/h1-3H3

InChIKey

NPBLQPWAISGYEU-UHFFFAOYSA-N

Smiles

N#CC(C(C)(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 258mg/m3/4H (258mg/m3) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
National Technical Information Service. Vol. OTS0555468,
rat LD50 oral 50uL/kg (0.05mL/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
National Technical Information Service. Vol. OTS0555468,