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Substance Name: Acrylonitrile
RN: 107-13-1
UNII: MP1U0D42PE
InChIKey: NLHHRLWOUZZQLW-UHFFFAOYSA-N

Note

  • A highly poisonous compound used widely in the manufacture of plastics, adhesives and synthetic rubber.

Molecular Formula

  • C3-H3-N

Molecular Weight

  • 53.0637
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Carcinogens
  • Fungicide, Bactericide, Wood Preservative
  • Human Data
  • Insecticide
  • Mutation Data
  • Noxae
  • Out-Dated Pesticide
  • Reproductive Effect
  • Skin / Eye Irritant
  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 274
  • 2011 CERCLA Priority List, Rank: 264
  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 10000 lb
  • TWA (2 ppm); skin; Confirmed animal carcinogen with unknown relevance to humans
  • TWA see 1910.1045

Names and Synonyms

Name of Substance

  • Acrylonitrile

MeSH Heading

  • Acrylonitrile

Synonyms

  • 2-Propenenitrile
  • 4-02-00-01473 (Beilstein Handbook Reference)
  • Acritet
  • Acrylnitril
  • Acrylnitril [German, Dutch]
  • Acrylon
  • Acrylonitrile
  • Acrylonitrile monomer
  • AI3-00054
  • Akrylonitril
  • Akrylonitril [Czech]
  • Akrylonitryl
  • Akrylonitryl [Polish]
  • BRN 0605310
  • Carbacryl
  • Caswell No. 010
  • CCRIS 8
  • Cianuro di vinile
  • Cianuro di vinile [Italian]
  • Cyanoethylene
  • Cyanure de vinyle
  • Cyanure de vinyle [French]
  • EC 203-466-5
  • EINECS 203-466-5
  • ENT 54
  • EPA Pesticide Chemical Code 000601
  • Fumigrain
  • HSDB 176
  • Miller's fumigrain
  • NCI-C50215
  • Nitrile acrilico
  • Nitrile acrilico [Italian]
  • Nitrile acrylique
  • Nitrile acrylique [French]
  • NSC 6362
  • Propenenitrile
  • RCRA waste number U009
  • TL 314
  • UN 1093
  • UNII-MP1U0D42PE
  • VCN
  • Ventox
  • Vinyl cyanide
  • Vinylkyanid
  • Vinylkyanid [Czech]

Systematic Names

  • 2-Propenenitrile
  • Acrylonitrile

Superlist Names

  • 2-Propenenitrile
  • Acrylonitrile
  • Acrylonitrile Vinyl cyanide
  • Acrylonitrile, inhibited
  • Acrylonitrile, inhibited [UN1093] [Flammable liquid]
  • RCRA waste no. U009
  • UN1093
  • Vinyl cyanide

Registry Numbers

CAS Registry Number

  • 107-13-1

FDA UNII

  • MP1U0D42PE

Other Registry Numbers

  • 1006710-56-0
  • 1197872-06-2
  • 1221168-60-0
  • 1309882-90-3
  • 29754-21-0
  • 63908-52-1
  • 769126-92-3
  • 769134-66-9

System Generated Number

  • 0000107131

Structure Descriptors

InChI

1S/C3H3N/c1-2-3-4/h2H,1H2

InChIKey

NLHHRLWOUZZQLW-UHFFFAOYSA-N

Smiles

C(C#N)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 600ppm/4H (600ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Industrial Hygiene and Toxicology. Vol. 24, Pg. 27, 1942.
child LDLo skin 2015mg/kg (2015mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Deutsche Medizinische Wochenschrift. Vol. 75, Pg. 1087, 1950.
dog LCLo inhalation 110ppm/4H (110ppm) BEHAVIORAL: COMA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Journal of Industrial Hygiene and Toxicology. Vol. 24, Pg. 27, 1942.
dog LDLo intravenous 200mg/kg (200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toxicology and Applied Pharmacology. Vol. 7, Pg. 367, 1965.
guinea pig LCLo inhalation 575ppm/4H (575ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: COUGH
Journal of Industrial Hygiene and Toxicology. Vol. 24, Pg. 27, 1942.
guinea pig LD50 oral 50mg/kg (50mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 16, Pg. 316, 1970.
guinea pig LD50 skin 202mg/kg (202mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.
guinea pig LD50 subcutaneous 130mg/kg (130mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITH APPROPRIATE ANESTHESIA
National Technical Information Service. Vol. PB280-478,
human TCLo inhalation 16ppm/20M (16ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE
Industrial Medicine. Vol. 17, Pg. 199, 1948.
man LCLo inhalation 1gm/m3/1H (1000mg/m3) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 16, Pg. 1, 1966.
monkey LC inhalation > 90ppm/4H (90ppm)   National Technical Information Service. Vol. PB280-478,
mouse LD50 intraperitoneal 46mg/kg (46mg/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 27mg/kg (27mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Hygiene, Epidemiology, Microbiology, and Immunology. Vol. 3, Pg. 106, 1959.
mouse LD50 subcutaneous 25mg/kg (25mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Toxicology and Applied Pharmacology. Vol. 7, Pg. 367, 1965.
rabbit LCLo inhalation 260ppm/4H (260ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: COMA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Industrial Hygiene and Toxicology. Vol. 24, Pg. 27, 1942.
rabbit LD50 intravenous 69mg/kg (69mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITH APPROPRIATE ANESTHESIA
National Technical Information Service. Vol. PB280-478,
rabbit LD50 skin 63mg/kg (63mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0534646,
rat LC50 inhalation 333ppm/4H (333ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
National Technical Information Service. Vol. OTS0571605,
rat LD50 intraperitoneal 65mg/kg (65mg/kg)   Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 36, Pg. 58, 1975.
rat LD50 oral 78mg/kg (78mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Hygiene, Epidemiology, Microbiology, and Immunology. Vol. 3, Pg. 106, 1959.
rat LD50 skin 148mg/kg (148mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 41(10), Pg. 103, 1976.
rat LD50 subcutaneous 75mg/kg (75mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Toxicology and Applied Pharmacology. Vol. 102, Pg. 142, 1990.
rat LDLo unreported 200mg/kg (200mg/kg) ENDOCRINE: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 37, Pg. 133, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.35E+01 deg C   EXP
Boiling Point 77.3 deg C   EXP
log P (octanol-water) 0.25 (none)   EXP
Water Solubility 7.45E+04 mg/L 25 EXP
Vapor Pressure 109 mm Hg 25 EXP
Henry's Law Constant 1.38E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.10E-12 cm3/molecule-sec 25 EXP

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