1H-Imidazol-1-ylacetonitrile
- Product Name
- 1H-Imidazol-1-ylacetonitrile
- CAS No.
- 98873-55-3
- Chemical Name
- 1H-Imidazol-1-ylacetonitrile
- Synonyms
- CjHsN3;1-Imidazolylacetonitrile;1-(Cyanomethyl)imidazole;Luliconazole Impurity 25;IMidazal-1-yl-acetonitrile;IMIDAZOL-1-YL-ACETONITRILE;Luliconazole Intermediates;1H-imidazole-1-acetonitril;1H-imidazole-1-acetonitrile;Imidazole-1-yl-acetonitrile
- CBNumber
- CB9843699
- Molecular Formula
- C5H5N3
- Formula Weight
- 107.11
- MOL File
- 98873-55-3.mol
1H-Imidazol-1-ylacetonitrile Property
- Melting point:
- 54.0 to 58.0 °C
- Boiling point:
- 116-120 °C(Press: 0.35 Torr)
- Density
- 1.11±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Store in freezer, under -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 5.63±0.10(Predicted)
- form
- Solid
- color
- White to Light yellow
- InChI
- InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2
- InChIKey
- ZPGCVVBPGQJSPX-UHFFFAOYSA-N
- SMILES
- C1N(CC#N)C=CN=1
Safety
- RIDADR
- UN 3439 6.1/PG III
- HS Code
- 2933.29.4300
- HazardClass
- IRRITANT
- HazardClass
- 6.1
- PackingGroup
- III
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- I0990
- Product name
- (1-Imidazolyl)acetonitrile
- Purity
- >98.0%(GC)(T)
- Packaging
- 1g
- Price
- $140
- Updated
- 2025/07/31
- Product number
- I0990
- Product name
- (1-Imidazolyl)acetonitrile
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $416
- Updated
- 2025/07/31
- Product number
- I385620
- Product name
- 2-(1H-Imidazol-1-yl)acetonitrile
- Packaging
- 1g
- Price
- $185
- Updated
- 2021/12/16
- Product number
- J56690
- Product name
- 2-(1-Imidazolyl)acetonitrile
- Packaging
- 1g
- Price
- $27
- Updated
- 2021/12/16
- Product number
- 96056
- Product name
- 2-(1H-Imidazol-1-yl)acetonitrile
- Packaging
- 500mg
- Price
- $425
- Updated
- 2021/12/16
1H-Imidazol-1-ylacetonitrile Chemical Properties,Usage,Production
Uses
2-(1H-Imidazol-1-yl)acetonitrile is a reactant that has been used in the synthesis of lanoconazole (L174500), an antifungal.
Synthesis
288-32-4
590-17-0
98873-55-3
To a tetrahydrofuran (THF) solution of 1H-imidazole (5 g, 73.5 mmol) was added sodium hydride (1.8 g, 45 mmol) in batches and stirred at room temperature for 30 minutes. Subsequently, bromoacetonitrile (8.8 g, 73.9 mmol) was slowly added dropwise and stirring was continued for 2 hours at room temperature. Upon completion of the reaction, the reaction was quenched by the addition of water (50 mL) and saturated ammonium chloride solution (50 mL). The reaction mixture was extracted with ethyl acetate (100 mL x 3) and the organic layers were combined. The organic layer was dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: petroleum ether/ethyl acetate=10:1) to give 2-(1H-imidazol-1-yl)acetonitrile (4.6 g, 59% yield) as a yellow oil.LRMS m/z: 108 [M+H]+.
References
[1] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 9, p. 3185 - 3198
[2] European Journal of Organic Chemistry, 2018, vol. 2018, # 18, p. 2110 - 2116
[3] New Journal of Chemistry, 2002, vol. 26, # 7, p. 926 - 932
[4] Patent: US2015/65522, 2015, A1. Location in patent: Paragraph 0469; 0470; 0471
[5] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 2009 - 2016
1H-Imidazol-1-ylacetonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1H-Imidazol-1-ylacetonitrile manufacturers
- Product
- 1-(Cyanomethyl)imidazole 98873-55-3
- Price
- US $1.10-9.90/kg
- Min. Order
- 1kg
- Purity
- 99%min
- Supply Ability
- 100kg
- Release date
- 2025-08-18
- Product
- 1H-Imidazol-1-ylacetonitrile 98873-55-3
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 10000KGS
- Release date
- 2025-02-18
- Product
- 1H-Imidazol-1-ylacetonitrile 98873-55-3
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98.0%
- Supply Ability
- 10000kg
- Release date
- 2023-03-29