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Substance Name: Propanenitrile, 3-butoxy-
RN: 6959-71-3
InChIKey: AWVNJBFNHGQUQU-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H13-N-O

Molecular Weight

  • 127.186
 
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Names and Synonyms

Synonyms

  • 3-Butoxypropannitril
  • 3-Butoxypropannitril [Czech]
  • 3-Butoxypropionitrile
  • 4-03-00-00709 (Beilstein Handbook Reference)
  • AI3-08628
  • beta-Butoxy propionitrile
  • BRN 1747904
  • EINECS 230-153-0
  • NSC 65452
  • Propanenitrile, 3-butoxy-

Systematic Names

  • 3-Butoxypropiononitrile
  • Propanenitrile, 3-butoxy-
  • Propionitrile, 3-butoxy-

Registry Numbers

CAS Registry Number

  • 6959-71-3

System Generated Number

  • 0006959713

Structure Descriptors

InChI

1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3

InChIKey

AWVNJBFNHGQUQU-UHFFFAOYSA-N

Smiles

O(CCCC)CCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 9, Pg. 135, 1957.
rabbit LD50 skin 8980uL/kg (8.98mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 7460mg/kg (7460mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.