Cas no 4414-88-4 (2-(1H-benzimidazol-2-yl)acetonitrile)
2-(1H-benzimidazol-2-yl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- (2-Benzimidazolyl)acetonitrile
- 2-(Cyanomethyl)benzimidazole
- (1H-BENZOIMIDAZOL-2-YL)-ACETONITRILE
- 1H-Benzimidazol-2-ylacetonitrile
- 2-(1H-benzo[d]imidazol-2-yl)acetonitrile
- 2-BENZIMIDAZOLE-ACETONITRILE
- 2-Cyanomethylbenzimidazole
- Benzophenone
- 2-Benzimidazolylacetonitrile
- 2-(1H-benzimidazol-2-yl)acetonitrile
- 2-(benzimidazolyl)acetonitrile
- MFCD00005601
- 1H-Benzimidazol-2-ylacetonitrile #
- (Benzimidazol-2-yl)ethanenitrile
- 1-H-BENZOIMIDAZOL-2-YL-ACETONITRILE
- GEO-00258
- NSC-525203
- 2-benzimidazol-2-ylethanenitrile
- STR02009
- F0266-2601
- BRN 0128461
- 2-(1H-benzimidazol-2-yl)acetonitrile;(2-Benzimidazolyl)acetonitrile
- AM20050364
- 1H-Benzimidazole-2-acetonitrile
- NS00031397
- Oprea1_467984
- AC-12169
- benzimidazole-2-acetonitrile
- Acetonitrile, 2-benzimidazolyl-
- WLN: T56 BM DNJ C1CN
- BP-12402
- SY020970
- FT-0619704
- EN300-16951
- 2-CYANOMETHYLBENZ(D)IMIDAZOLE
- EINECS 224-574-9
- SR-01000389032
- 2-Kyanmethylbenzimidazol [Czech]
- 4414-88-4
- 2-(Cyanomethyl)-1H-benzimidazole
- 0AN9A7OY6F
- FS-1339
- 2-Kyanmethylbenzimidazol
- Benzimidazolylacetonitrile
- 5-25-04-00286 (Beilstein Handbook Reference)
- 2-Kyanmethylbenzimidazol [Czech]
- NSC 525203
- Enamine_003017
- NSC525203
- Benzimidazole, 2-cyanomethyl-
- 2-BENZIMIDAZOLACETONITRILE
- SR-01000389032-1
- HMS1402J03
- I10068
- (1H-Benzoimidazol-2-yl)acetonitrile
- UNII-0AN9A7OY6F
- B2821
- 2-(1H-BENZO(D)IMIDAZOL-2-YL)ACETONITRILE
- 2-BENZIMIDAZOLEACETONITRILE
- AKOS000275416
- SCHEMBL76988
- (1H-Benzimidazol-2-yl)acetonitrile
- (2-Benzimidazolyl)acetonitrile, 97%
- Q-101099
- 2-(1H-1,3-benzodiazol-2-yl)acetonitrile
- DTXSID5063445
- SB66431
- BB 0219164
- A826500
- CS-W008228
- Z56828358
- STK009078
- ALBB-010071
- DTXCID6040292
- DB-013295
-
- MDL: MFCD00005601
- Inchi: 1S/C9H7N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2,(H,11,12)
- InChI Key: BWOVACANEIVHST-UHFFFAOYSA-N
- SMILES: N1C(CC#N)=NC2C=CC=CC1=2
- BRN: 128461
Computed Properties
- Exact Mass: 157.06400
- Monoisotopic Mass: 157.063997236 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 205
- 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
- Molecular Weight: 157.17
- Topological Polar Surface Area: 52.5?2
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
Experimental Properties
- Color/Form: Powder
- Density: 1.2279 (rough estimate)
- Melting Point: 212°C(lit.)
- Boiling Point: 439.5°C at 760 mmHg
- Flash Point: 142.5 oC
- Refractive Index: 1.5330 (estimate)
- Water Partition Coefficient: Insoluble in water.
- PSA: 52.47000
- LogP: 1.62898
- Solubility: Uncertain
2-(1H-benzimidazol-2-yl)acetonitrile Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H302+H312+H332-H315-H319
- Warning Statement: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- Hazardous Material transportation number:3276
- WGK Germany:3
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S26-S37/39-S24/25
- RTECS:DD5650000
-
Hazardous Material Identification:
- Packing Group:III
- Hazard Level:6.1
- Risk Phrases:R20/21/22; R36/37/38
- Packing Group:III
- Safety Term:6.1
- HazardClass:6.1
- PackingGroup:III
- TSCA:Yes
- Storage Condition:Sealed in dry,Room Temperature
2-(1H-benzimidazol-2-yl)acetonitrile Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-(1H-benzimidazol-2-yl)acetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-NW324-5g |
2-(1H-benzimidazol-2-yl)acetonitrile |
4414-88-4 | 98% | 5g |
¥96.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-NW324-25g |
2-(1H-benzimidazol-2-yl)acetonitrile |
4414-88-4 | 98% | 25g |
¥371.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-NW324-1g |
2-(1H-benzimidazol-2-yl)acetonitrile |
4414-88-4 | 98% | 1g |
¥41.0 | 2022-05-30 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B802168-25g |
(2-Benzimidazolyl)acetonitrile |
4414-88-4 | 97% | 25g |
199.80 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | B5291-10G |
2-(1H-benzimidazol-2-yl)acetonitrile |
4414-88-4 | 10g |
¥826.99 | 2023-11-14 | ||
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY020970-1g |
2-Benzimidazoleacetonitrile |
4414-88-4 | >97% | 1g |
¥40.00 | 2025-04-14 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY020970-5g |
2-Benzimidazoleacetonitrile |
4414-88-4 | >97% | 5g |
¥50.40 | 2025-04-14 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY020970-10g |
2-Benzimidazoleacetonitrile |
4414-88-4 | >97% | 10g |
¥95.40 | 2025-04-14 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY020970-25g |
2-Benzimidazoleacetonitrile |
4414-88-4 | >97% | 25g |
¥233.10 | 2025-04-14 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY020970-100g |
2-Benzimidazoleacetonitrile |
4414-88-4 | >97% | 100g |
¥886.50 | 2025-04-14 |
2-(1H-benzimidazol-2-yl)acetonitrile Suppliers
2-(1H-benzimidazol-2-yl)acetonitrile Related Literature
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Anton V. Kutasevich,Anton S. Niktarov,Ekaterina S. Uvarova,Valentina A. Karnoukhova,Vitaly S. Mityanov Org. Biomol. Chem. 2021 19 8988
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Jiang Peng,Jinyu Zhao,Longde Zheng,Kaiqi Ye,Jingbo Sun,Ran Lu New J. Chem. 2018 42 18269
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Jiang Peng,Jinyu Zhao,Longde Zheng,Kaiqi Ye,Jingbo Sun,Ran Lu New J. Chem. 2018 42 18269
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Wei Guo,Liuhuan Cai,Zhen Xie,Weijie Mei,Gongping Liu,Ling Deng,Xiaoya Zhuo,Yumei Zhong,Xiaoying Zou,Lvyin Zheng,Xiaolin Fan Org. Chem. Front. 2021 8 3838
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Saradindu Debnath,Syaleena Parveen,Priyankar Pradhan,Ipsita Das,Tapas Das New J. Chem. 2022 46 10504
Additional information on 2-(1H-benzimidazol-2-yl)acetonitrile
Comprehensive Guide to 2-(1H-benzimidazol-2-yl)acetonitrile (CAS No. 4414-88-4): Properties, Applications, and Market Insights
2-(1H-benzimidazol-2-yl)acetonitrile (CAS No. 4414-88-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This benzimidazole derivative serves as a crucial building block for synthesizing various bioactive molecules, particularly in the development of heterocyclic compounds with potential therapeutic applications. The compound's unique molecular structure, featuring both benzimidazole and acetonitrile moieties, makes it particularly valuable for creating novel drug candidates and functional materials.
The growing interest in 2-(1H-benzimidazol-2-yl)acetonitrile reflects broader trends in medicinal chemistry, where researchers are increasingly focusing on nitrogen-containing heterocycles for their diverse biological activities. Recent studies highlight its potential in developing kinase inhibitors, which are currently a hot topic in cancer research, as well as in creating antimicrobial agents to address the global challenge of antibiotic resistance. The compound's versatility also extends to materials science, where it can be used to synthesize functional polymers with specific electronic or optical properties.
From a chemical perspective, 2-(1H-benzimidazol-2-yl)acetonitrile demonstrates several interesting characteristics. The benzimidazole core provides aromatic stability and hydrogen bonding capabilities, while the acetonitrile group offers reactivity for further chemical transformations. This combination makes the compound particularly useful for multi-step synthetic routes in pharmaceutical development. Researchers frequently employ it in nucleophilic substitution reactions or as a precursor for more complex heterocyclic systems.
The synthesis of 2-(1H-benzimidazol-2-yl)acetonitrile typically involves condensation reactions starting from o-phenylenediamine derivatives, followed by cyanoethylation. Recent advancements in green chemistry approaches have focused on optimizing these synthetic pathways to improve yields while reducing environmental impact—a key concern for modern chemical manufacturers. These developments align with the pharmaceutical industry's growing emphasis on sustainable synthesis methods and atom economy principles.
In the pharmaceutical sector, 2-(1H-benzimidazol-2-yl)acetonitrile has shown particular promise in the development of protein kinase inhibitors, a class of compounds that has revolutionized cancer treatment in recent years. The compound's ability to serve as a scaffold for ATP-competitive inhibitors makes it valuable for targeting various kinase domains. Additionally, its structural features are being explored for designing novel antiviral compounds, especially in light of recent global health challenges that have underscored the need for broad-spectrum antiviral agents.
The agrochemical industry also utilizes 2-(1H-benzimidazol-2-yl)acetonitrile as an intermediate for developing new crop protection agents. With increasing global focus on sustainable agriculture and reduced environmental impact of pesticides, researchers are investigating benzimidazole derivatives for their potential as biodegradable fungicides and plant growth regulators. The compound's structural flexibility allows for modifications that can enhance target specificity while minimizing ecological effects.
From a market perspective, demand for 2-(1H-benzimidazol-2-yl)acetonitrile has shown steady growth, particularly in regions with strong pharmaceutical and agrochemical manufacturing sectors. The compound's global market value is expected to increase in coming years, driven by ongoing research into novel therapeutic agents and environmentally friendly agricultural chemicals. Suppliers are responding to this demand by improving production scalability and purity standards to meet the stringent requirements of end-use industries.
Quality control for 2-(1H-benzimidazol-2-yl)acetonitrile typically involves advanced analytical techniques such as HPLC analysis and mass spectrometry to ensure high purity levels. The compound's stability profile allows for long-term storage under appropriate conditions, making it practical for research and industrial applications. Proper handling requires standard laboratory precautions, though it doesn't fall under hazardous material classifications that would require special regulatory controls.
Recent scientific publications have highlighted innovative applications of 2-(1H-benzimidazol-2-yl)acetonitrile in material science, particularly in the development of organic electronic materials. Its conjugated system and ability to form coordination complexes make it interesting for creating molecular semiconductors and photovoltaic materials. These applications align with current research trends toward organic electronics and flexible displays, areas that are receiving substantial investment worldwide.
For researchers working with 2-(1H-benzimidazol-2-yl)acetonitrile, several key considerations emerge. The compound's solubility characteristics favor polar organic solvents, which is important for reaction planning. Its reactivity profile suggests compatibility with various common synthetic transformations, though optimal conditions may require specific catalysts or temperature controls. These practical aspects are frequently discussed in chemical synthesis forums and research publications, reflecting the compound's growing importance in synthetic chemistry.
Looking ahead, the future of 2-(1H-benzimidazol-2-yl)acetonitrile appears bright, with potential expansions into new application areas. Emerging research suggests possible uses in metal-organic frameworks (MOFs) for gas storage applications, as well as in designing fluorescent probes for biological imaging. These developments position the compound at the intersection of multiple cutting-edge research fields, ensuring its continued relevance in scientific and industrial contexts.
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