Cas no 287389-52-0 (Chlorobenzene-13C6)

Chlorobenzene-13C6 is a stable isotope-labeled compound where all six carbon atoms are replaced with the 13C isotope. This isotopically enriched variant is widely used as an internal standard in mass spectrometry and NMR spectroscopy, ensuring high precision in quantitative analysis. Its uniform 13C labeling minimizes spectral interference, enhancing signal clarity and accuracy in trace-level detection. Chlorobenzene-13C6 is particularly valuable in environmental testing, pharmaceutical research, and metabolic studies, where isotopic purity and chemical stability are critical. The compound maintains the same physicochemical properties as unlabeled chlorobenzene, ensuring reliable performance in analytical applications while providing distinct isotopic signatures for differentiation.
Chlorobenzene-13C6 structure
Chlorobenzene-13C6 structure
Product Name:Chlorobenzene-13C6
CAS No:287389-52-0
MF:C6H5Cl
MW:118.51282954216
CID:248728
PubChem ID:16213397
Update Time:2025-10-19

Chlorobenzene-13C6 Chemical and Physical Properties

Names and Identifiers

    • Benzene-13C6, chloro-(9CI)
    • Chlorobenzene-13C6
    • chlorobenzene
    • CHLOROBENZENE, [13C6]
    • IP Carrier T 40-13C6
    • MCB-13C6
    • Phenyl Chloride-13C6
    • Tetrosin SP-13C6
    • Chlorobenzene-13C6, 99 atom % 13C
    • DTXSID60583925
    • J-017234
    • 1-Chloro(~13~C_6_)benzene
    • 287389-52-0
    • chloro(1,2,3,4,5,6-13C6)cyclohexatriene
    • chloro(1, 2, 3, 4, 5, 6-13C6)cyclohexatriene
    • SCHEMBL1330516
    • MDL: MFCD00190286
    • Inchi: 1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1
    • InChI Key: MVPPADPHJFYWMZ-IDEBNGHGSA-N
    • SMILES: Cl[13C]1[13CH]=[13CH][13CH]=[13CH][13CH]=1

Computed Properties

  • Exact Mass: 118.02800
  • Monoisotopic Mass: 118.0281069g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 46.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.164?g/mL?at 25?°C
  • Melting Point: -45?°C(lit.)
  • Boiling Point: 132?°C(lit.)
  • Flash Point: 75?°F
  • Refractive Index: n20/D 1.524(lit.)
  • PSA: 0.00000
  • LogP: 2.34000
  • Solubility: Not determined
  • Vapor Pressure: NO data available

Chlorobenzene-13C6 Security Information

  • Signal Word:warning
  • Hazard Statement: H303+H313+H333
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number:UN 1134 3/PG 3
  • WGK Germany:2
  • Hazard Category Code: 10-20-51/53
  • Safety Instruction: S24/25; S61
  • Hazardous Material Identification: Xn N
  • Risk Phrases:R10; R20; R51/53
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

Chlorobenzene-13C6 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
488534-100MG
Chlorobenzene-13C6
287389-52-0
100mg
¥8186.42 2023-12-05
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R025085-100mg
Chlorobenzene-13C6,99%atom 13C
287389-52-0 99%atom 13C
100mg
¥4232 2024-05-24
TRC
C364532-5mg
Chlorobenzene-13C6
287389-52-0
5mg
$ 178.00 2023-04-18
TRC
C364532-25mg
Chlorobenzene-13C6
287389-52-0
25mg
$ 523.00 2023-04-18
TRC
C364532-50mg
Chlorobenzene-13C6
287389-52-0
50mg
$ 930.00 2023-04-18
TRC
C364532-100mg
Chlorobenzene-13C6
287389-52-0
100mg
$ 1642.00 2023-04-18

Additional information on Chlorobenzene-13C6

Chlorobenzene-13C6 (CAS No. 287389-52-0): A Comprehensive Overview

Chlorobenzene-13C6 (CAS No. 287389-52-0) is a stable isotope-labeled compound that has gained significant attention in recent years due to its unique properties and applications in various scientific and industrial fields. This compound is a chlorinated derivative of benzene where all six carbon atoms are labeled with the stable isotope 13C. The use of isotopically labeled compounds like Chlorobenzene-13C6 has revolutionized research in areas such as analytical chemistry, environmental science, and pharmaceutical development.

In analytical chemistry, Chlorobenzene-13C6 serves as an internal standard for quantitative analysis. Its isotopic labeling provides a distinct advantage over unlabeled compounds by reducing matrix effects and improving the accuracy and precision of measurements. Recent studies have demonstrated the effectiveness of Chlorobenzene-13C6 in gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS) analyses, where it helps to calibrate instruments and ensure reliable quantification of trace contaminants in complex matrices.

In environmental science, the use of Chlorobenzene-13C6 has been pivotal in tracing the fate and transport of chlorinated compounds in the environment. By using this labeled compound, researchers can track the movement and transformation of chlorinated pollutants through various environmental compartments, such as soil, water, and air. This information is crucial for developing effective remediation strategies and understanding the ecological impact of these pollutants.

In the pharmaceutical industry, Chlorobenzene-13C6 plays a vital role in drug metabolism studies. Isotopically labeled compounds are often used to trace the metabolic pathways of drugs in vivo, providing valuable insights into their pharmacokinetics and pharmacodynamics. Recent research has shown that Chlorobenzene-13C6 can be used to study the biotransformation of chlorinated drugs, helping to optimize drug design and improve therapeutic outcomes.

The synthesis of Chlorobenzene-13C6 involves several steps, including the preparation of 13C-labeled benzene followed by chlorination. The choice of synthetic route depends on factors such as yield, purity, and cost-effectiveness. Advanced techniques such as catalytic hydrogenation and electrophilic aromatic substitution have been employed to produce high-purity Chlorobenzene-13C6. These methods ensure that the final product meets the stringent quality standards required for scientific research.

The stability and chemical properties of Chlorobenzene-13C6 make it an ideal candidate for long-term storage and use in various applications. It is relatively non-reactive under normal conditions but can undergo substitution reactions under specific conditions. This versatility allows researchers to tailor its use for different experimental setups.

In conclusion, Chlorobenzene-13C6 (CAS No. 287389-52-0) is a valuable tool in modern scientific research. Its unique isotopic labeling provides enhanced accuracy and precision in analytical measurements, environmental monitoring, and pharmaceutical studies. As research continues to advance, the applications of this compound are likely to expand, further solidifying its importance in these fields.

Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.