| Weight | 103.124 g/mol |
|---|---|
| Formula | C7H5N |
| Hydrogen Acceptors | 1 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 0 |
BENZONITRILE (100-47-0)
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#444 in Physics
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#1305 in Chemistry
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- Reinterpretation of the anomalous fluorescense of p-n,n-dimethylamino-benzonitrile (Chemical Physics Letters, 1973)
- In Search of a Novel Anti-HIV Drug: Multidisciplinary Coordination in the Discovery of 4-((4-((4-((1E)-2-Cyanoethenyl)-2,6-dimethylphenyl)amino)-2- pyrimidinyl)amino)benzonitrile (R278474, Rilpivirine) (Journal of Medicinal Chemistry, 2005)
- Pharmacological Properties of ABT-239 [4-(2-{2-[(2R)-2-Methylpyrrolidinyl]ethyl}-benzofuran-5-yl)benzonitrile]: II. Neurophysiological Characterization and Broad Preclinical Efficacy in Cognition and Schizophrenia of a Potent and Selective Histamine H3 Receptor Antagonist (Journal of Pharmacology and Experimental Therapeutics, 2004)
- Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol (Journal of Computational Chemistry, 2008)
- Simulation of IR and Raman spectra based on scaled DFT force fields: A case study of 2-(methylthio)benzonitrile, with emphasis on band assignment (Journal of Molecular Structure, 2004)
- Rhodium-Catalyzed Arylation Using Arylboron Compounds: Efficient Coupling with Aryl Halides and Unexpected Multiple Arylation of Benzonitrile (ChemInform, 2005)
-
Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - H227: Combustible liquid
Warning Flammable liquids - Category 4 - H302: Harmful if swallowed
Warning Acute toxicity, oral - Category 4 - H312: Harmful in contact with skin
Warning Acute toxicity, dermal - Category 4 - H319: Causes serious eye irritation
Warning Serious eye damage/eye irritation - Category 2A - H371: May cause damage to organs
Warning Specific target organ toxicity, single exposure - Category 2 - H402: Harmful to aquatic life
Hazardous to the aquatic environment, acute hazard - Category 3 -
SMILESC1=CC=C(C=C1)C#N
-
InChIKeyJFDZBHWFFUWGJE-UHFFFAOYSA-N
- Pubchem - BENZONITRILE
- Wikipedia - benzonitrile
Benzonitrile is the chemical compound with the formula C6H5CN, abbreviated PhCN. This aromatic organic compound is a colorless liquid with a sweet almond odour. It is mainly used as a precursor to the resin benzoguanamine.
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