PCB No 174 - 100 ug/mL in Isooctane , CAS No.38411-25-5

CAS: 38411-25-5 Cat. No.: P129003 Fórmula: C₁₂H₃Cl₇ Peso molecular: 395.32 Número EC: 630-501-5

GRADE & PURITY 100 ug/mL in Isooctane

Synonyms

2,2',3,3',4,5,6'-HEPTACHLOROBIPHENYL|38411-25-5|2,2',3,3',4,5,6'-Heptachloro-1,1'-biphenyl|UNII-OYI6B897Y7|OYI6B897Y7|PCB 174|1,1'-Biphenyl, 2,2',3,3',4,5,6'-heptachloro-|1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenyl)benzene|DTXSID4074142|PCB No 174|SCHEMB

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2,2',3,3',4,5,6'-HEPTACHLOROBIPHENYL | 38411-25-5 | 2,2',3,3',4,5,6'-Heptachloro-1,1'-biphenyl | UNII-OYI6B897Y7 | OYI6B897Y7 | PCB 174 | 1,1'-Biphenyl, 2,2',3,3',4,5,6'-heptachloro- | 1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenyl)benzene | DTXSID4074142 | PCB No 174 | SCHEMB

Especificaciones y pureza

100 ug/mL in Isooctane

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C(=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
• IUPAC Name: 1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenyl)benzene
• InChIKey: ZDLMBNHYTPHDLF-UHFFFAOYSA-N
• INCHI: 1S/C12H3Cl7/c13-5-1-2-6(14)10(17)8(5)4-3-7(15)11(18)12(19)9(4)16/h1-3H
• Isómeros SMILES: C1=CC(=C(C(=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
• Peso molecular: 395.32
• Reaxy-Rn: 2703899
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2703899&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Chlorinated biphenyls
• Direct Parent: Polychlorinated biphenyls
• Alternative Parents: Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polychlorinated biphenyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 395.300 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 393.802 Da
• Monoisotopic Mass: 391.805 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 312.000
• 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