Lot numbers can be found on the outside label of a product:
(2-Benzimidazolyl)acetonitrile
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CAS No. 4414-88-4
- Cat. No. CS-W008228
- Purity≥97%
- MDL No.MFCD00005601
*For research and further manufacturing use only, not for direct human use.
Structure of 4414-88-4
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General Information
- CAS No. 4414-88-4
- Cat. No. CS-W008228
- Purity ≥97%
- MDL No. MFCD00005601
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇N₃
- Molecular Weight None
- Synonym(s) Benzimidazolylacetonitrile
- SMILES C1=CC=CC2=C1[NH]C(=N2)CC#N
Description
(2-Benzimidazolyl)acetonitrile features a benzimidazole core linked to a nitrile-bearing acetyl group, delivering a rigid, electron-deficient heterocyclic scaffold. This combination enables strong coordination with transition metals and enhances binding affinity in supramolecular systems. The nitrile moiety offers synthetic versatility for further derivatization, while the molecule exhibits good solubility in polar organic solvents and stability under standard bench conditions.
Application
(2-Benzimidazolyl)acetonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of bioactive heterocycles and pharmaceutical intermediates. Its nitrile group facilitates nucleophilic additions and subsequent transformations, while the benzimidazole moiety provides structural rigidity and hydrogen-bonding capacity. The compound exhibits good bench stability and compatibility with standard reaction conditions, simplifying purification and integration into multi-step syntheses.
Synthesis
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Route1
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95-54-5 -
109-77-3
- ~%
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In-stock
4414-88-4
References
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Ciba-Geigy AG Patent: US4064136 A1, 1977 ;
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Route2
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1262791-57-0
- ~85%
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In-stock
4414-88-4
References
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Khilya; Baglay; Volovenko Chemistry of Heterocyclic Compounds, 2010 , vol. 46, # 8 p. 934 - 937
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Route3
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105-56-6
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95-54-5
- ~70%
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In-stock
4414-88-4
References
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Dekhane, Deepak V.; Pawar, Shivaji S.; Gupta, Sunil V.; Shingare, Murlidhar S.; Thore, Shivaji N. Chinese Chemical Letters, 2010 , vol. 21, # 5 p. 519 - 523
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 52.47
- LogP 1.62898
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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