cis-Nonachlor Standard - 1000ug/ml in Purge and Trap Methanol , CAS No.5103-73-1

CAS: 5103-73-1 Cat. No.: C128233 Formule: C₁₀H₅Cl₉ Poids moléculaire: 444.22 Beilstein Registry Number: 3157215 Numéro CE: 622-800-4

GRADE & PURITY 1000ug/ml in Purge and Trap Methanol

Synonyms

TRANS-NONACHLOR|39765-80-5|CIS-NONACHLOR|trans-Nonachlordane|c-Nonachlor|t-Nonachlor|cis-Nonachlordane|Nonachlor, cis-|Nonachlor, trans-|5103-73-1|NONACHLOR|2PFJ22N0EU|9LP364CK91|(1R,2S,3R,5S,6R,7S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Pesticides Single Component Standards

Specifications

Synonymes

TRANS-NONACHLOR | 39765-80-5 | CIS-NONACHLOR | trans-Nonachlordane | c-Nonachlor | t-Nonachlor | cis-Nonachlordane | Nonachlor, cis- | Nonachlor, trans- | 5103-73-1 | NONACHLOR | 2PFJ22N0EU | 9LP364CK91 | (1R,2S,3R,5S,6R,7S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-

Spécifications et pureté

1000ug/ml in Purge and Trap Methanol

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

• Pubchem Sid: 528776462
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528776462
• Sourires canoniques: C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
• IUPAC Name: (1S,2R,3S,5R,6S,7R)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene
• InChIKey: OCHOKXCPKDPNQU-FLVMBEMLSA-N
• INCHI: 1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5?,8+,9-
• Isomères SMILES: [C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
• WGK Allemagne: 2
• RTECS: PC0970000
• Poids moléculaire: 444.22
• Beilstein: 3157215
• Reaxy-Rn: 5824197
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5824197&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic homopolycyclic compound
• Description: 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: Organochlorine pesticides

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

Propriétés chimiques et physiques

• Point d'éclair (°C): 2°C
• Poids moléculaire: 444.200 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 443.753 Da
• Monoisotopic Mass: 439.759 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 447.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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