Cas no 1276197-16-0 (4-NITROTOLUENE-2,3,5,6-D4)

4-NITROTOLUENE-2,3,5,6-D4 structure
4-NITROTOLUENE-2,3,5,6-D4 structure
Product Name:4-NITROTOLUENE-2,3,5,6-D4
CAS No:1276197-16-0
MF:C7H7NO2
MW:141.160628557205
MDL:MFCD18782969
CID:1065918
Update Time:2025-07-19

4-NITROTOLUENE-2,3,5,6-D4 Chemical and Physical Properties

Names and Identifiers

    • 4-Nitrotoluene-2,3,5,6-d4
    • 4-NITROTOLUENE-2,3,5,6-D4
    • MDL: MFCD18782969
    • Inchi: 1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3/i2D,3D,4D,5D
    • InChI Key: ZPTVNYMJQHSSEA-QFFDRWTDSA-N
    • SMILES: C1(C)=C([2H])C([2H])=C([N+]([O-])=O)C([2H])=C1[2H]

4-NITROTOLUENE-2,3,5,6-D4 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
N572327-2.5mg
4-Nitrotoluene-2,3,5,6-d4
1276197-16-0
2.5mg
$ 64.00 2023-09-06
TRC
N572327-5mg
4-Nitrotoluene-2,3,5,6-d4
1276197-16-0
5mg
$ 81.00 2023-09-06
TRC
N572327-25mg
4-Nitrotoluene-2,3,5,6-d4
1276197-16-0
25mg
$115.00 2023-05-17
AstaTech
D98455-0.1/G
4-NITROTOLUENE-2,3,5,6-D4
1276197-16-0 95%
0.1g
$340 2023-09-19
AstaTech
D98455-0.25/G
4-NITROTOLUENE-2,3,5,6-D4
1276197-16-0 95%
0.25g
$470 2023-09-19

4-NITROTOLUENE-2,3,5,6-D4 Related Literature

Additional information on 4-NITROTOLUENE-2,3,5,6-D4

Introduction to 4-Nitrotoluene-2,3,5,6-D4 (CAS No. 1276197-16-0)

4-Nitrotoluene-2,3,5,6-D4 (CAS No. 1276197-16-0) is a deuterated derivative of 4-nitrotoluene, a compound widely used in various scientific and industrial applications. The deuterium atoms in this compound provide unique advantages in analytical chemistry and nuclear magnetic resonance (NMR) spectroscopy, making it an essential tool for researchers and scientists.

The chemical structure of 4-Nitrotoluene-2,3,5,6-D4 consists of a benzene ring with a nitro group (-NO2) at the para position and four deuterium atoms (D) substituting the hydrogen atoms at the 2, 3, 5, and 6 positions. This specific isotopic labeling offers enhanced stability and reduced background interference in NMR studies, which is crucial for accurate and reliable data interpretation.

In recent years, the use of deuterated compounds like 4-Nitrotoluene-2,3,5,6-D4 has gained significant attention in the field of pharmaceutical research. Deuterium labeling can help in understanding the metabolic pathways of drugs and their interactions with biological systems. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that deuterated analogs of certain drugs exhibited improved pharmacokinetic properties and reduced toxicity compared to their non-deuterated counterparts.

The synthesis of 4-Nitrotoluene-2,3,5,6-D4 involves several steps, including the deuteration of toluene followed by nitration. The deuteration process typically uses heavy water (D2O) or deuterium gas (D2) as the source of deuterium. The nitration step can be achieved using a mixture of concentrated nitric acid and sulfuric acid. The precise control of reaction conditions is crucial to ensure high yields and purity of the final product.

In addition to its applications in NMR spectroscopy and pharmaceutical research, 4-Nitrotoluene-2,3,5,6-D4 is also used in environmental studies to trace the fate and transport of organic pollutants. Deuterated compounds can serve as non-toxic tracers that mimic the behavior of their non-deuterated counterparts without posing environmental risks. This makes them valuable tools for monitoring pollution levels and assessing remediation strategies.

The safety profile of 4-Nitrotoluene-2,3,5,6-D4 is generally similar to that of its non-deuterated form. However, the presence of deuterium atoms can slightly alter its physical properties such as boiling point and solubility. Users should handle this compound with appropriate personal protective equipment (PPE) and follow standard laboratory safety protocols to ensure a safe working environment.

In conclusion, 4-Nitrotoluene-2,3,5,6-D4 (CAS No. 1276197-16-0) is a versatile compound with a wide range of applications in analytical chemistry, pharmaceutical research, and environmental studies. Its unique isotopic labeling provides valuable insights into molecular structures and biological processes, making it an indispensable tool for modern scientific research.

Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd