2,3,4'-Trichlorobiphenyl - 100 ug/mL in Isooctane , CAS No.38444-85-8

CAS: 38444-85-8 Cat. No.: T128686 Formula: C₁₂H₇Cl₃ Peso molecolare: 257.54 Numero EC: 690-170-8 PubChem CID: 38035

GRADE & PURITY 100 ug/mL in Isooctane

Synonyms

2,3,4'-TRICHLOROBIPHENYL|38444-85-8|1,2-dichloro-3-(4-chlorophenyl)benzene|2,3,4'-Trichloro-1,1'-biphenyl|1,1'-Biphenyl, 2,3,4'-trichloro-|UNII-1GT5EC8H71|2,3,4/'-Trichlorobiphenyl|1GT5EC8H71|PCB 22|1,1'-Biphenyl,2,3,4'-trichloro-|DTXSID7091549|SCHEMBL445

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

2,3,4'-TRICHLOROBIPHENYL | 38444-85-8 | 1,2-dichloro-3-(4-chlorophenyl)benzene | 2,3,4'-Trichloro-1,1'-biphenyl | 1,1'-Biphenyl, 2,3,4'-trichloro- | UNII-1GT5EC8H71 | 2,3,4/'-Trichlorobiphenyl | 1GT5EC8H71 | PCB 22 | 1,1'-Biphenyl,2,3,4'-trichloro- | DTXSID7091549 | SCHEMBL445

Specifiche e purezza

100 ug/mL in Isooctane

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Nomi e identificatori

• Pubchem Sid: 508807599
• Sorrisi canonici: C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(C=C2)Cl
• IUPAC Name: 1,2-dichloro-3-(4-chlorophenyl)benzene
• InChIKey: ZMHWQAHZKUPENF-UHFFFAOYSA-N
• INCHI: 1S/C12H7Cl3/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7H
• Isomeri SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(C=C2)Cl
• PubChem CID: 38035
• Peso molecolare: 257.54

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 - 1,2-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

• Peso molecolare: 257.500 g/mol
• XLogP3: 5.400
• 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. Lin Yuan, Qiang Fu, Maojuan Zhou, Yunqian Ma, Lihua Zang, Yingjian Qin, Dandan Ji, Fengshan Zhang.  (2021)  Highly sensitive and selective detection of PCB 77 using an aptamer-catalytic hairpin assembly in an aquatic environment.  RSC Advances,  11  (10): (5506-5511).  [PMID:35423071] [10.1039/D0RA10285G]