2,2',4,5,5'-Pentachlorobiphenyl standard solution - 1000μg/ml transPermethrin , CAS No.37680-73-2

CAS: 37680-73-2 Cat. No.: P141197 분자식: C₁₂H₅Cl₅ 분자량: 326.43 Beilstein Registry Number: 2507418 EC 번호: 621-393-0

GRADE & PURITY 1000μg/ml transPermethrin

Synonyms

37680-73-2|2,2',4,5,5'-PENTACHLOROBIPHENYL|1,1'-Biphenyl, 2,2',4,5,5'-pentachloro-|PCB 101|2,4,5,2',5'-Pentachlorobiphenyl|UNII-803YVI5BNP|803YVI5BNP|1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene|2,2',4,5,5'-Pentachloro-1,1'-biphenyl|DTXSID8038304|CB 101;

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

37680-73-2 | 2,2',4,5,5'-PENTACHLOROBIPHENYL | 1,1'-Biphenyl, 2,2',4,5,5'-pentachloro- | PCB 101 | 2,4,5,2',5'-Pentachlorobiphenyl | UNII-803YVI5BNP | 803YVI5BNP | 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene | 2,2',4,5,5'-Pentachloro-1,1'-biphenyl | DTXSID8038304 | CB 101;

사양 및 순도

1000μg/ml transPermethrin

보관 조건

Store at 2-8°C

배송

Wet ice

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이름과 식별자

정식 스마일

C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl

IUPAC Name

1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene

InChIKey

LAHWLEDBADHJGA-UHFFFAOYSA-N

INCHI

1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H

이성체 SMILES

C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl

WGK 독일

3

UN 번호

3432

분자량

326.43

Beilstein

2507418

Reaxy-Rn

2507418

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2507418&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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 - 1,4-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 326.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 325.88 Da
• Monoisotopic Mass: 323.883 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 259.000
• 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