2-Chloroacrylonitrile - ≥99% , CAS No.920-37-6

CAS: 920-37-6 Cat. No.: C108040 Summenformel: C₃H₂ClN Molekulargewicht: 87.51 Beilstein Registry Number: 773744 EG-Nummer: 213-055-2

QUALITÄT & REINHEIT ≥99%

Synonyms

1-Chloro-1-cyanoethene | CCRIS 6869 | EINECS 213-055-2 | Heliogen Blue 7560 | Q27277955 | 2-CHLORACRYLONITRIL | LQX7RFK8MZ | TI-435 | FT-0611902 | Chloroacrylonitrile | a-chloroacrylonitrile | Alpha-chloro acrylonitrile | F8880-0330 | AMY25815 | Propeneni

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

1-Chloro-1-cyanoethene | CCRIS 6869 | EINECS 213-055-2 | Heliogen Blue 7560 | Q27277955 | 2-CHLORACRYLONITRIL | LQX7RFK8MZ | TI-435 | FT-0611902 | Chloroacrylonitrile | a-chloroacrylonitrile | Alpha-chloro acrylonitrile | F8880-0330 | AMY25815 | Propeneni

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504754498

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754498

Kanonisches Lächeln

C=C(C#N)Cl

IUPAC Name

2-chloroprop-2-enenitrile

InChIKey

OYUNTGBISCIYPW-UHFFFAOYSA-N

INCHI

1S/C3H2ClN/c1-3(4)2-5/h1H2

Isomere SMILES

C=C(C#N)Cl

WGK Deutschland

3

UN-Nummer

1993

Verpackungsgruppe

I

Molekulargewicht

87.51

Beilstein

773744

Reaxy-Rn

773744

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773744&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Nitriles Chloroalkenes Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.429
• Flammpunkt (°F): 42.8 °F
• Flammpunkt (°C): 6 °C
• Siedepunkt (°C): 88-89°C
• Schmelzpunkt (°C): -65°C
• Molekulargewicht: 87.510 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 86.9876 Da
• Monoisotopic Mass: 86.9876 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 86.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1