1-(2-Chlorethyl)pyrrol - ≥98%(GC) , CAS No.77200-24-9

CAS: 77200-24-9 Cat. No.: C153496 Summenformel: C₆H₈ClN Molekulargewicht: 129.59 EG-Nummer: 679-645-0

GRADE & PURITY ≥98%(GC)

Synonyms

1-(2-Chloroethyl)-1H-Pyrrole | DTXSID20506458 | AS-30066 | CZYATLREQUGMIQ-UHFFFAOYSA-N | FT-0690609 | SB62107 | Chloroethylpyrrole | MFCD00191330 | AKOS006230393 | 1-(2-Chloroethyl)pyrrole | 1-(2-CHLOROETHYL)-PYRROLE | SCHEMBL536275 | 1-(2-chloroethyl)azo

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

1-(2-Chloroethyl)-1H-Pyrrole | DTXSID20506458 | AS-30066 | CZYATLREQUGMIQ-UHFFFAOYSA-N | FT-0690609 | SB62107 | Chloroethylpyrrole | MFCD00191330 | AKOS006230393 | 1-(2-Chloroethyl)pyrrole | 1-(2-CHLOROETHYL)-PYRROLE | SCHEMBL536275 | 1-(2-chloroethyl)azo

Spezifikationen & Reinheit

≥98%(GC)

Storage

Protected from light,Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488198214
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198214
• Kanonisches Lächeln: C1=CN(C=C1)CCCl
• IUPAC Name: 1-(2-chloroethyl)pyrrole
• InChIKey: CZYATLREQUGMIQ-UHFFFAOYSA-N
• INCHI: 1S/C6H8ClN/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6H2
• Isomere SMILES: C1=CN(C=C1)CCCl
• Molekulargewicht: 129.59
• Reaxy-Rn: 107963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107963&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• 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

• Empfindlichkeit: Light Sensitive,Hygroscopic
• Brechungsindex: 1.52
• Flammpunkt (°C): 66 °C
• Siedepunkt (°C): 84°C/20mmHg(lit.)
• Molekulargewicht: 129.590 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 129.035 Da
• Monoisotopic Mass: 129.035 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 59.500
• 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