PCB No 2 - 35 ug/mL in Isooctane , CAS No.2051-61-8

CAS: 2051-61-8 Cat. No.: P128364 Fórmula: C₁₂H₉Cl Peso molecular: 188.65 Beilstein Registry Number: 1863135 Número CE: 218-126-1

GRADE & PURITY 35 ug/mL in Isooctane

Synonyms

1,1'-Biphenyl,3-chloro- | 3-Chloro[1,1'-biphenyl] | 3-monochloro-1,1'-biphenyl | 3-Chlorbiphenyl | CAA05161 | MFCD00013633 | WLQ4633SJY | 1,1'-Biphenyl, 3-monochloro- | 3-Chlorodiphenyl | PCB No 2, analytical standard | 1-chloranyl-3-phenyl-benzene | DTXC

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1,1'-Biphenyl,3-chloro- | 3-Chloro[1,1'-biphenyl] | 3-monochloro-1,1'-biphenyl | 3-Chlorbiphenyl | CAA05161 | MFCD00013633 | WLQ4633SJY | 1,1'-Biphenyl, 3-monochloro- | 3-Chlorodiphenyl | PCB No 2, analytical standard | 1-chloranyl-3-phenyl-benzene | DTXC

Especificações e pureza

35 ug/mL in Isooctane

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

• Sorrisos canónicos: C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
• IUPAC Name: 1-chloro-3-phenylbenzene
• InChIKey: NMWSKOLWZZWHPL-UHFFFAOYSA-N
• INCHI: 1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
• SMILES isoméricas: C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
• WGK Alemanha: 3
• RTECS: DV2072000
• Número UN: 3432
• Peso molecular: 188.65
• Beilstein: 1863135
• Reaxy-Rn: 1863135
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863135&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
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 188.650 g/mol
• XLogP3: 4.600
• 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

Referências

1. Xiaoying Feng, Yixin Kuang, Suxin Zhou, Juan Zheng, Gangfeng Ouyang.  (2023)  New insights into the effects of isomeric chlorine substitution on microstructures and enrichment capacities of functionalized polystyrene nanospheres.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.146887]

2. Wei Guo, Yao Qin, Cheng Liu, Binbin Guo, Junhua Zou, Zenghong Xie, Ling Wu.  (2021)  Unveiling the intermediates/pathways towards photocatalytic dechlorination of 3,3′,4,4′-trtrachlorobiphenyl over Pd /TiO2(B) nanosheets.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2021.120526]

3. Cuizhong Zhang, Peican Chen, Liya Zhou, Jinyun Peng.  (2021)  Photoelectrochemical detection for 3,3′,4,4′-tetrachlorobiphenyl in fish based on synergistic effects by Schottky junction and sensitization.  FOOD CHEMISTRY,      [PMID:34274703] [10.1016/j.foodchem.2021.130490]

Perguntas frequentes

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 2051-61-8, the molecular formula is C12H9Cl, and the molecular weight is 188.65 g/mol. InChIKey NMWSKOLWZZWHPL-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.