acrylonitrile

Synonyms: "2-propenenitrile","prop-2-enenitrile", "vinyl cyanide", "propenenitrile", "cyanoethylene", "polyacrylonitrile", "carbacryl", "fumigrain", "acrylon", "acritet", "ventox", "nitrile acrylique", "cyanure de vinyle", "Miller's fumigrain", "Acrylnitril", "Acrylonitrile monomer", "Akrylonitryl", "Nitrile acrilico", "Cianuro di vinile", "Akrylonitril", "Vinylkyanid", "Propenitrile", "Propenonitrile", "TL 314", "ENT 54".

Source: Acrylonitrile is a heavily produced unsaturated nitrile, which is used in the production of synthetic fibers, plastics, resins, and rubber.

Identifiers:

IUPAC Name: prop-2-enenitrile
CAS Number: 107-13-1
PubChem ID: 7855
InChiKey: NLHHRLWOUZZQLW-UHFFFAOYSA-N
Canonical SMILES: C=CC#N

Structural Properties:

Molecular Formula: C3H3N
Molecular Weight: 53.064

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 4

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Evidence Supporting This Chemical as an Endocrine Disruptor
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Johannsen, F.R. and Levinskas, G.J., 2002. Comparative chronic toxicity and carcinogenicity of acrylonitrile by drinking water and oral intubation to SpartanĀ® SpragueĀ?Dawley rats. Toxicology letters, 132(3), pp.197-219. DOI: 10.1016/S0378-4274(02)00073-5. URL: https://www.sciencedirect.com/science/article/pii/S0378427402000735.
Nemec, M.D., Kirkpatrick, D.T., Sherman, J., Van Miller, J.P., Pershing, M.L. and Strother, D.E., 2008. Two-generation reproductive toxicity study of inhaled acrylonitrile vapors in Crl: CD (SD) rats. International journal of toxicology, 27(1), pp.11-29. DOI: 10.1080/10915810701876463 . URL: http://journals.sagepub.com/doi/abs/10.1080/10915810701876463.
Nilsen, O.G., Toftga„rd, R. and Eneroth, P., 1980. Effects of acrylonitrile on rat liver cytochrome P-450, benzo (a) pyrene metabolism and serum hormone levels. Toxicology letters, 6(6), pp.399-404. DOI: 10.1016/0378-4274(80)90113-7. URL: https://www.sciencedirect.com/science/article/pii/0378427480901137.
Tandon, R., Saxena, D.K., Chandra, S.V., Seth, P.K. and Srivastava, S.P., 1988. Testicular effects of acrylonitrile in mice. Toxicology letters, 42(1), pp.55-63. DOI: 10.1016/0378-4274(88)90102-6. URL: https://www.sciencedirect.com/science/article/pii/0378427488901026.

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