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Substance Name: Propionitrile
RN: 107-12-0
UNII: E16N05FX3S
InChIKey: FVSKHRXBFJPNKK-UHFFFAOYSA-N

Molecular Formula

  • C3-H5-N

Molecular Weight

  • 55.0795
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant

Superlist Classification Codes

  • Reportable Quantity (RQ) = 10 lb
  • Threshold Planning Quantity (TPQ) = 500 lb

Names and Synonyms

Name of Substance

  • Propionitrile

Synonyms

  • 4-02-00-00728 (Beilstein Handbook Reference)
  • AI3-08777
  • BRN 0773680
  • CCRIS 4706
  • Cyanoethane
  • EINECS 203-464-4
  • Ether cyanatus
  • Ethyl cyanide
  • Ethylkyanid
  • Ethylkyanid [Czech]
  • HSDB 117
  • Hydrocyanic ether
  • NSC 7966
  • Propanenitrile
  • Propannitril
  • Propannitril [Czech]
  • Propionic nitrile
  • Propionitrile
  • Propiononitrile
  • Propylnitrile
  • RCRA waste number P101
  • UNII-E16N05FX3S

Systematic Names

  • Propanenitrile
  • Propionitrile
  • Propiononitrile

Superlist Names

  • Ethyl cyanide
  • Propanenitrile
  • Propionic nitrile
  • Propionitrile
  • Propionitrile [UN2404] [Flammable liquid]
  • RCRA waste no. P101
  • UN2404

Registry Numbers

CAS Registry Number

  • 107-12-0

FDA UNII

  • E16N05FX3S

System Generated Number

  • 0000107120

Structure Descriptors

InChI

1S/C3H5N/c1-2-3-4/h2H2,1H3

InChIKey

FVSKHRXBFJPNKK-UHFFFAOYSA-N

Smiles

C(C#N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo unreported 50mg/kg (50mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 1, Pg. 251, 1889.
frog LDLo subcutaneous 8gm/kg (8000mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
guinea pig LD50 intraperitoneal 10mg/kg (10mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4872, 1982.
guinea pig LD50 oral 25mg/kg (25mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4872, 1982.
guinea pig LD50 subcutaneous 18100ug/kg (18.1mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: TREMOR

GASTROINTESTINAL: NAUSEA OR VOMITING
Medicina del Lavoro. Industrial Medicine. Vol. 47, Pg. 192, 1956.
guinea pig LDLo skin 5gm/kg (5000mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4872, 1982.
mouse LC50 inhalation 163ppm/1H (163ppm) LIVER: OTHER CHANGES Clinical Toxicology. Vol. 18, Pg. 991, 1981.
mouse LD50 intraperitoneal 28mg/kg (28mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA

SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE
Toxicology and Applied Pharmacology. Vol. 59, Pg. 589, 1981.
mouse LD50 oral 35797ug/kg (35.797mg/kg)   Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984.
rabbit LD50 skin 210uL/kg (0.21mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rabbit LDLo intravenous 50mg/kg (50mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 1, Pg. 251, 1889.
rabbit LDLo subcutaneous 60mg/kg (60mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
rat LCLo inhalation 500ppm/4H (500ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 intraperitoneal 25mg/kg (25mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4872, 1982.
rat LD50 oral 39mg/kg (39mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.28E+01 deg C   EXP
Boiling Point 97.1 deg C   EXP
log P (octanol-water) 0.16 (none)   EXP
Water Solubility 1.03E+05 mg/L 25 EXP
Vapor Pressure 47.4 mm Hg 25 EXP
Henry's Law Constant 3.70E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.94E-13 cm3/molecule-sec 25 EXP

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