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

CAS: 7012-37-5 Cat. No.: P115142 分子式: C₁₂H₇Cl₃ 分子量: 257.54 Beilstein Registry Number: 1956846 EC番号: 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

同義語

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

仕様と純度

analytical standard

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

名前と識別子

• パブケム・シド: 528755339
• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl
• WGKドイツ: 3
• RTECS: DV8840000
• UN番号: 3432
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Chlorinated biphenyls
          • Level6 Polychlorinated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 引火点（°C）: 100°C
• 分子量: 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