Cas no 4264-05-5 (3-(4-nitrophenyl)-1,2-oxazole)

3-(4-Nitrophenyl)-1,2-oxazole is a nitrophenyl-substituted oxazole derivative with applications in organic synthesis and pharmaceutical research. Its structure, featuring both an oxazole heterocycle and a nitro-functionalized phenyl ring, makes it a versatile intermediate for constructing more complex molecules. The electron-withdrawing nitro group enhances reactivity in nucleophilic substitution and reduction reactions, while the oxazole core contributes to its utility in heterocyclic chemistry. This compound is particularly valued for its role in the development of bioactive compounds and functional materials. High purity grades are available to ensure consistent performance in research and industrial processes. Proper handling is recommended due to its potential sensitivity.
3-(4-nitrophenyl)-1,2-oxazole structure
3-(4-nitrophenyl)-1,2-oxazole structure
Product Name:3-(4-nitrophenyl)-1,2-oxazole
CAS No:4264-05-5
MF:C9H6N2O3
MW:190.15554189682
MDL:MFCD08446390
CID:325143
PubChem ID:605438
Update Time:2025-06-17

3-(4-nitrophenyl)-1,2-oxazole Chemical and Physical Properties

Names and Identifiers

    • Isoxazole,3-(4-nitrophenyl)-
    • 3-(4-Nitrophenyl)isoxazole
    • 3-p-Nitrophenylisoxazole
    • 3-(4-nitrophenyl)-1,2-oxazole
    • XXAAKZGOIOIOQB-UHFFFAOYSA-N
    • 3-(4-nitrophenyl)-isoxazole
    • 3-(4-Nitrophenyl)isoxazole #
    • STL415334
    • 3-(4-Nitrophenyl)isoxazole, AldrichCPR
    • Q63396035
    • AKOS006288432
    • T72464
    • MFCD08446390
    • AS-58838
    • CS-0452467
    • 4264-05-5
    • DTXSID00345549
    • FT-0691917
    • EN300-233044
    • SCHEMBL5139807
    • N1059
    • DB-314557
    • MDL: MFCD08446390
    • Inchi: 1S/C9H6N2O3/c12-11(13)8-3-1-7(2-4-8)9-5-6-14-10-9/h1-6H
    • InChI Key: XXAAKZGOIOIOQB-UHFFFAOYSA-N
    • SMILES: O1C=CC(C2C=CC(=CC=2)[N+](=O)[O-])=N1

Computed Properties

  • Exact Mass: 190.03800
  • Monoisotopic Mass: 190.03784206g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 209
  • 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
  • Topological Polar Surface Area: 71.8
  • XLogP3: 1.9

Experimental Properties

  • PSA: 71.85000
  • LogP: 2.77300

3-(4-nitrophenyl)-1,2-oxazole Security Information

  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: T

3-(4-nitrophenyl)-1,2-oxazole Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(4-nitrophenyl)-1,2-oxazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
N1059-200MG
3-(4-nitrophenyl)-1,2-oxazole
4264-05-5 96.0%(GC)
200MG
¥790.0 2022-07-28
SHANG HAI XIAN DING Biotechnology Co., Ltd.
N1059-1G
3-(4-nitrophenyl)-1,2-oxazole
4264-05-5 96.0%(GC)
1G
¥2750.0 2022-07-28
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
N869194-200mg
3-(4-Nitrophenyl)isoxazole
4264-05-5 96%
200mg
1,100.00 2021-05-17
SHANG HAI XIAN DING Biotechnology Co., Ltd.
XD353-40mg
3-(4-nitrophenyl)-1,2-oxazole
4264-05-5 96.0%(GC)
40mg
¥384.0 2022-02-28
TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.
N1059-200MG
3-(4-Nitrophenyl)isoxazole
4264-05-5 >96.0%(GC)
200mg
¥715.00 2023-09-07
TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.
N1059-1G
3-(4-Nitrophenyl)isoxazole
4264-05-5 >96.0%(GC)
1g
¥2475.00 2023-09-07
Enamine
EN300-233044-1g
3-(4-nitrophenyl)-1,2-oxazole
4264-05-5
1g
$271.0 2023-09-15
Enamine
EN300-233044-5g
3-(4-nitrophenyl)-1,2-oxazole
4264-05-5
5g
$783.0 2023-09-15
Enamine
EN300-233044-10g
3-(4-nitrophenyl)-1,2-oxazole
4264-05-5
10g
$1163.0 2023-09-15
SHANG HAI XIAN DING Biotechnology Co., Ltd.
N1059-200MG
3-(4-nitrophenyl)-1,2-oxazole
4264-05-5 96.0%(GC)
200mg
¥600.0 2024-07-21

Additional information on 3-(4-nitrophenyl)-1,2-oxazole

Comprehensive Overview of 3-(4-Nitrophenyl)-1,2-Oxazole (CAS No. 4264-05-5): Properties, Applications, and Research Insights

The compound 3-(4-nitrophenyl)-1,2-oxazole (CAS No. 4264-05-5) is a heterocyclic organic molecule featuring an oxazole ring linked to a 4-nitrophenyl group. This structure endows it with unique chemical properties, making it a subject of interest in pharmaceutical research, material science, and synthetic chemistry. Its molecular formula (C9H6N2O3) and molecular weight (190.16 g/mol) are critical for analytical applications, while its nitro group contributes to its reactivity in electrophilic substitutions.

Recent studies highlight the role of 3-(4-nitrophenyl)-1,2-oxazole as a building block in drug discovery, particularly in designing kinase inhibitors and antimicrobial agents. Researchers are exploring its potential in cancer therapy, leveraging its ability to modulate cellular pathways. Additionally, its fluorescence properties have sparked interest in sensor development, aligning with the growing demand for environmental monitoring tools.

From a synthetic perspective, the compound’s crystallinity and thermal stability make it suitable for optoelectronic materials. Its nitro-aromatic moiety facilitates photoinduced electron transfer, a feature exploited in organic LEDs and photovoltaic devices. These applications resonate with current trends in green energy and sustainable technology.

Analytical techniques like HPLC, NMR, and mass spectrometry are routinely employed to characterize CAS 4264-05-5. Purity thresholds (>98%) are crucial for industrial use, driving advancements in chromatographic separation methods. The compound’s solubility in polar solvents (e.g., DMSO, ethanol) further expands its utility in formulation chemistry.

In academia, 3-(4-nitrophenyl)oxazole serves as a model substrate for studying cycloaddition reactions and catalysis. Its structure-activity relationships (SAR) are frequently cited in medicinal chemistry literature, addressing common search queries like "oxazole derivatives in drug design" or "nitrophenyl compounds for sensors". This aligns with the surge in AI-driven drug discovery discussions.

Regulatory compliance for 4264-05-5 focuses on safe handling and storage, though it is not classified as hazardous under major frameworks. Its biodegradability profile is under investigation, reflecting broader concerns about chemical sustainability. Suppliers often provide technical data sheets (TDS) to ensure transparency.

Future research may explore 3-(4-nitrophenyl)-1,2-oxazole’s role in nanotechnology, particularly in drug delivery systems. Its compatibility with bioconjugation techniques could bridge gaps in targeted therapies. As the scientific community prioritizes molecular diversity, this compound’s versatility positions it as a key player in interdisciplinary innovation.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD