PCB n° 28 - norme analytique , CAS No.7012-37-5

CAS: 7012-37-5 Cat. No.: P115142 Formule: C₁₂H₇Cl₃ Poids moléculaire: 257.54 Beilstein Registry Number: 1956846 Numéro CE: 230-293-2

GRADE & PURITY Analytical standard

Synonyms

2,4,4'-TRICHLOROBIPHENYL|7012-37-5|Pcb 28|1,1'-Biphényle, 2,4,4'-trichloro-|Biphényle, 2,4,4'-trichloro-|2,4,4'-Trichloro-1,1'-biphényle|2,4-dichloro-1-(4-chlorophényle)benzène|4,2',4'-Trichlorobiphényle|1,1'-Biphényle,2,4,4'-trichloro-|EINECS 230-293-2|U

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

2,4,4'-TRICHLOROBIPHENYL | 7012-37-5 | Pcb 28 | 1,1'-Biphényle, 2,4,4'-trichloro- | Biphényle, 2,4,4'-trichloro- | 2,4,4'-Trichloro-1,1'-biphényle | 2,4-dichloro-1-(4-chlorophényle)benzène | 4,2',4'-Trichlorobiphényle | 1,1'-Biphényle,2,4,4'-trichloro- | EINECS 230-293-2 | U

Spécifications et pureté

norme analytique

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Étalon d'analyse

Noms et identifiants

• Pubchem Sid: 528755339
• Sourires canoniques: C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl
• IUPAC Name: 2,4-dichloro-1-(4-chlorophenyl)benzene
• InChIKey: BZTYNSQSZHARAZ-UHFFFAOYSA-N
• INCHI: 1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
• Isomères SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl
• WGK Allemagne: 3
• RTECS: DV8840000
• Numéro ONU: 3432
• Poids moléculaire: 257.54
• Beilstein: 1956846
• Reaxy-Rn: 1956846
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1956846&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Chlorinated biphenyls
          • Level6 Polychlorinated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Chlorinated biphenyls
• Direct Parent: Polychlorinated biphenyls
• Alternative Parents: Dichlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polychlorinated biphenyl - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
• 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

Propriétés chimiques et physiques

• Point d'éclair (°C): 100°C
• Poids moléculaire: 257.500 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 255.961 Da
• Monoisotopic Mass: 255.961 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 199.000
• 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

Références

1. Yuheng Guo, Xue He, Chuanhui Huang, Hui Chen, Qiaomei Lu, Lan Zhang.  (2019)  Metal–organic framework-derived nitrogen-doped carbon nanotube cages as efficient adsorbents for solid-phase microextraction of polychlorinated biphenyls.  ANALYTICA CHIMICA ACTA,      [PMID:31864635] [10.1016/j.aca.2019.10.023]