PCB No 28 - analytical standard , CAS No.7012-37-5

CAS: 7012-37-5 Cat. No.: P115142 Formula: C₁₂H₇Cl₃ Peso molecolare: 257.54 Beilstein Registry Number: 1956846 Numero EC: 230-293-2

GRADE & PURITY Analytical standard

Synonyms

2,4,4'-TRICHLOROBIPHENYL|7012-37-5|Pcb 28|1,1'-Biphenyl, 2,4,4'-trichloro-|Biphenyl, 2,4,4'-trichloro-|2,4,4'-Trichloro-1,1'-biphenyl|2,4-dichloro-1-(4-chlorophenyl)benzene|4,2',4'-Trichlorobiphenyl|1,1'-Biphenyl,2,4,4'-trichloro-|EINECS 230-293-2|UNII-84

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

2,4,4'-TRICHLOROBIPHENYL | 7012-37-5 | Pcb 28 | 1,1'-Biphenyl, 2,4,4'-trichloro- | Biphenyl, 2,4,4'-trichloro- | 2,4,4'-Trichloro-1,1'-biphenyl | 2,4-dichloro-1-(4-chlorophenyl)benzene | 4,2',4'-Trichlorobiphenyl | 1,1'-Biphenyl,2,4,4'-trichloro- | EINECS 230-293-2 | UNII-84

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 528755339
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl
• WGK Germania: 3
• RTECS: DV8840000
• Numero UN: 3432
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 100°C
• Peso molecolare: 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

Riferimenti

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]