2-Chlorobiphenyl - 100 ug/mL in Isooctane , CAS No.2051-60-7

CAS: 2051-60-7 Cat. No.: C128141 Formule: C₁₂H₉Cl Poids moléculaire: 188.65 Beilstein Registry Number: 1907934 Numéro CE: 218-125-6

GRADE & PURITY 100 ug/mL in Isooctane

Synonyms

2-CHLOROBIPHENYL|2051-60-7|2-Chloro-1,1'-biphenyl|o-Chlorobiphenyl|2-Chlorodiphenyl|1-Chloro-2-phenylbenzene|o-Chlorodiphenyl|2-Monochlorobiphenyl|Biphenyl, 2-chloro-|1,1'-Biphenyl, 2-chloro-|1,1'-Biphenyl, chloro-|PCB 1|Chloro-1,1'-biphenyl|2-Chlorbiphen

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-CHLOROBIPHENYL | 2051-60-7 | 2-Chloro-1,1'-biphenyl | o-Chlorobiphenyl | 2-Chlorodiphenyl | 1-Chloro-2-phenylbenzene | o-Chlorodiphenyl | 2-Monochlorobiphenyl | Biphenyl, 2-chloro- | 1,1'-Biphenyl, 2-chloro- | 1,1'-Biphenyl, chloro- | PCB 1 | Chloro-1,1'-biphenyl | 2-Chlorbiphen

Spécifications et pureté

100 ug/mL in Isooctane

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

DV2065000

Numéro ONU

3432

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2051-60-7, the molecular formula is C12H9Cl, and the molecular weight is 188.65 g/mol. InChIKey LAXBNTIAOJWAOP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.