2-Chlorobiphenyl - 35 ug/mL in Isooctane , CAS No.2051-60-7

CAS: 2051-60-7 Cat. No.: C128140 Summenformel: C₁₂H₉Cl Molekulargewicht: 188.65 Beilstein Registry Number: 1907934 EG-Nummer: 218-125-6

GRADE & PURITY 35 ug/mL in Isooctane

Synonyms

2-PCB | 2E08SP4D3P | 9XW97A4F4F | 2-chloro-1,1''-biphenyl | 2-Chloro-1,1'-biphenyl | 2-CHLORODIPHENYL-2',3',4',5',6'-D5 | BDBM50159252 | Biphenyl, chloro- | 1-Chloro-2-phenylbenzene | AKOS015890249 | Monochlorobiphenyl | SCHEMBL170230 | Diphenylchloride |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-PCB | 2E08SP4D3P | 9XW97A4F4F | 2-chloro-1,1''-biphenyl | 2-Chloro-1,1'-biphenyl | 2-CHLORODIPHENYL-2',3',4',5',6'-D5 | BDBM50159252 | Biphenyl, chloro- | 1-Chloro-2-phenylbenzene | AKOS015890249 | Monochlorobiphenyl | SCHEMBL170230 | Diphenylchloride |

Spezifikationen & Reinheit

35 ug/mL in Isooctane

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

1-chloro-2-phenylbenzene

InChIKey

LAXBNTIAOJWAOP-UHFFFAOYSA-N

INCHI

1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

Isomere SMILES

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

WGK Deutschland

3

RTECS

DV2065000

UN-Nummer

3432

Molekulargewicht

188.65

Beilstein

1907934

Reaxy-Rn

1907934

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907934&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorinated biphenyls
• Alternative Parents: Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorinated biphenyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
• External Descriptors: monochlorobiphenyl

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

Zugehörige Ziele (menschlich)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 188.650 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 188.039 Da
• Monoisotopic Mass: 188.039 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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