Cas no 619-72-7 (p-Nitrobenzonitrile)
p-Nitrobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-Nitrobenzonitrile
- para-nitrobenzonitrile
- 4-CYANONITROBENZENE
- p-Nitrobenzonitrile
- 4-Nitrobenzenenitrile
- 4-nitro-benzonitril
- 4-nitrobenzylnitrile
- Benzonitrile,4-nitro
- para-nitro-benzonitrile
- p-Cyanonitrobenzene
- P-Nitro
- p-nitrobenzoic acid nitrile
- p-nitro-benzonitril
- 1-Nitro-4-cyanobenzene
- Benzonitrile, 4-nitro-
- Benzonitrile, p-nitro-
- 4-nitrobenzenecarbonitrile
- 4-nitro-benzonitrile
- NKJIFDNZPGLLSH-UHFFFAOYSA-N
- 4-nitrobenzonitril
- Para-ntrobenzontrle
- zlchem 267
- PubChem9008
- 4-NITRO BENZONITRILE
- KSC355O5N
- Q63398003
- UNII-4QKT535WUA
- NSC 5383
- DTXSID7060706
- FT-0619212
- F8881-3333
- EINECS 210-610-0
- EN300-18270
- AKOS000119952
- NSC5383
- InChI=1/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4
- CCRIS 2328
- 4-(TOLUENE-4-SULFONYLAMINO)-CYCLOHEXANECARBOXYLICACID
- AC-23569
- Z57756571
- 619-72-7
- AI3-00478
- p-Nitro Benzonitrile
- NS00034872
- SCHEMBL57257
- A833510
- STR03675
- CS-W018191
- BCP13970
- AM20040878
- J-523869
- 1-cyano-4-nitrobenzene
- N0172
- AC-2480
- 4-Nitrobenzonitrile, purum, >=98.0% (GC)
- NSC-5383
- 4-Nitrobenzonitrile, 97%
- MFCD00007279
- 4-CYANO-1-NITROBENZENE
- 4QKT535WUA
- STK051059
- DTXCID6043179
- 210-610-0
-
- MDL: MFCD00007279
- Inchi: 1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H
- InChI Key: NKJIFDNZPGLLSH-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C=CC(C#N)=CC=1)=O
- BRN: 972078
Computed Properties
- Exact Mass: 148.02700
- Monoisotopic Mass: 148.027
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 192
- 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: 1.2
- Topological Polar Surface Area: 69.6
Experimental Properties
- Color/Form: Cream colored crystalline powder.
- Density: 1.4015 (rough estimate)
- Melting Point: 146.0 to 150.0 deg-C
- Boiling Point: 307.7℃ at 760 mmHg
- Flash Point: 139.9 °C
- Refractive Index: 1.5300 (estimate)
- Solubility: 1.65g/l slightly soluble
- PSA: 69.61000
- LogP: 1.98968
- Solubility: 1.67 PCs /l.
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
p-Nitrobenzonitrile Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Danger
- Hazard Statement: H300,H311,H331
- Warning Statement: P261,P264,P280,P301+P310,P311
- Hazardous Material transportation number:UN 2811 6.1/PG 2
- WGK Germany:3
- Hazard Category Code: 23/24/25
- Safety Instruction: S36/37/39-S45-S28A-S36/37-S22
- RTECS:DI4903500
-
Hazardous Material Identification:
- Packing Group:II
- Hazard Level:6.1
- HazardClass:6.1
- PackingGroup:II
- TSCA:Y
- Storage Condition:Store at room temperature
- Safety Term:6.1
- Packing Group:II
- Risk Phrases:R23/24/25
p-Nitrobenzonitrile Customs Data
- HS CODE:29269095
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
p-Nitrobenzonitrile Pricemore >>
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p-Nitrobenzonitrile Suppliers
p-Nitrobenzonitrile Related Literature
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Mehtab Parveen,Ali Mohammed Malla,Mahboob Alam,Musheer Ahmad,Shahnawaz Rafiq New J. Chem. 2014 38 1655
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2. Synthesis of multiply substituted 1,6-dihydropyridines through Cu(i)-catalyzed 6-endo cyclizationHaruki Mizoguchi,Ryo Watanabe,Shintaro Minami,Hideaki Oikawa,Hiroki Oguri Org. Biomol. Chem. 2015 13 5955
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3. Oxidation vs. fragmentation in radiosensitization. Reactions of α-alkoxyalkyl radicals with 4-nitrobenzonitrile and oxygen. A pulse radiolysis and product analysis studyChandrasekhar Nese,Man Nien Schuchmann,Steen Steenken,Clemens von Sonntag J. Chem. Soc. Perkin Trans. 2 1995 1037
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You-Xuan Chen,Hsueh-Hui Yang,Yu-Liang Lin,Ji-Kuan Hou,Yong-Jui Chu,Fu-Chen Liu,Gene-Hsiang Lee Dalton Trans. 2019 48 12996
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Ryhan Abdullah Rather,Zeba N. Siddiqui RSC Adv. 2019 9 15749
Additional information on p-Nitrobenzonitrile
Recent Advances in the Study of p-Nitrobenzonitrile (CAS: 619-72-7) in Chemical Biology and Pharmaceutical Research
p-Nitrobenzonitrile (CAS: 619-72-7) is a key chemical intermediate widely used in pharmaceutical synthesis, agrochemical production, and material science. Recent studies have highlighted its significance in the development of novel bioactive compounds and its role in various chemical reactions. This research brief aims to provide an overview of the latest advancements related to p-Nitrobenzonitrile, focusing on its applications, synthetic methodologies, and biological activities.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers explored the use of p-Nitrobenzonitrile as a precursor for the synthesis of potent kinase inhibitors. The study demonstrated that derivatives of p-Nitrobenzonitrile exhibited significant inhibitory activity against several cancer-related kinases, suggesting its potential as a scaffold for anticancer drug development. The researchers employed a combination of computational modeling and high-throughput screening to identify the most promising candidates.
Another recent investigation, featured in Organic Letters, focused on the catalytic conversion of p-Nitrobenzonitrile into valuable intermediates via C-H activation. The study introduced a novel palladium-based catalyst that significantly improved the yield and selectivity of the reaction, paving the way for more efficient synthetic routes in pharmaceutical manufacturing. This breakthrough has implications for reducing production costs and environmental impact.
From a biological perspective, a 2024 paper in Bioorganic & Medicinal Chemistry Letters reported the antimicrobial properties of p-Nitrobenzonitrile derivatives. The researchers synthesized a series of compounds and evaluated their efficacy against multidrug-resistant bacterial strains. Several derivatives showed promising activity, particularly against Gram-positive bacteria, highlighting the potential of p-Nitrobenzonitrile-based compounds in addressing antibiotic resistance.
In addition to its pharmaceutical applications, p-Nitrobenzonitrile has also been investigated in material science. A study published in Advanced Materials in early 2024 demonstrated its utility in the synthesis of organic semiconductors. The researchers found that p-Nitrobenzonitrile-derived polymers exhibited excellent charge transport properties, making them suitable for use in flexible electronics and optoelectronic devices.
Despite these advancements, challenges remain in the large-scale production and application of p-Nitrobenzonitrile-based compounds. Recent reviews in Chemical Reviews and Nature Chemistry have pointed to the need for more sustainable synthetic methods and improved understanding of the structure-activity relationships of these compounds. Future research directions may include the development of greener catalytic systems and the exploration of p-Nitrobenzonitrile in emerging therapeutic areas such as neurodegenerative diseases and immunomodulation.
In conclusion, p-Nitrobenzonitrile (CAS: 619-72-7) continues to be a versatile and valuable compound in chemical biology and pharmaceutical research. The latest studies underscore its potential in drug discovery, catalysis, and materials science, while also highlighting areas for further investigation. As research in this field progresses, p-Nitrobenzonitrile is likely to play an increasingly important role in addressing current and future challenges in healthcare and technology.
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