PCB(Aroclor1221)solution - analytical standard, 100.0ug/mL in methanol , CAS No.11104-28-2

CAS: 11104-28-2 Cat. No.: P115161 Formula: C₁₂H₉Cl Molecular Weight: 188.65 EC Number: 623-280-1

GRADE & PURITY Analytical standard, 100.0ug/mL in methanol

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

FedEx DG Service

Specifications

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

Specifications & Purity

analytical standard, 100.0ug/mL in methanol

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
• UN Number: 1230
• Packing Group: II
• Molecular Weight: 188.65
• 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
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Chemical and Physical Properties

• Molecular Weight: 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

References

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. Wenchao Jia, Xiangying Jin, Yuhua Wu, Danping Xie, Wenhua Yin, Bo Zhao, Zhonghui Huang, Lijun Liu, Yanyan Yang, Tonghui Cao, Xidan Feng, Sheng Chang.  (2022)  Amplification of fluorescence polarization signal based on specific recognition of aptamers combined with quantum quenching effect for ultrasensitive and simple detection of PCB-77.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:35550993] [10.1016/j.saa.2022.121341]

3. 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]

4. 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]

5. Xiangli Zheng, Hongli Li, Fangquan Xia, Dong Tian, Xiaoxia Hua, Xueying Qiao, Changli Zhou.  (2016)  An Electrochemical Sensor for Ultrasensitive Determination the Polychlorinated Biphenyls.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2016.02.115]

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 11104-28-2, 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.