ChemicalBook > CAS DataBase List > 1H-Imidazol-1-ylacetonitrile

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
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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
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Safety

RIDADR 
UN 3439 6.1/PG III
HS Code 
2933.29.4300
HazardClass 
IRRITANT
HazardClass 
6.1
PackingGroup 
III
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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.

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N-Bromosuccinimide Price

TCI Chemical
Product number
I0990
Product name
(1-Imidazolyl)acetonitrile
Purity
>98.0%(GC)(T)
Packaging
1g
Price
$140
Updated
2025/07/31
TCI Chemical
Product number
I0990
Product name
(1-Imidazolyl)acetonitrile
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$416
Updated
2025/07/31
TRC
Product number
I385620
Product name
2-(1H-Imidazol-1-yl)acetonitrile
Packaging
1g
Price
$185
Updated
2021/12/16
AK Scientific
Product number
J56690
Product name
2-(1-Imidazolyl)acetonitrile
Packaging
1g
Price
$27
Updated
2021/12/16
AK Scientific
Product number
J56690
Product name
2-(1-Imidazolyl)acetonitrile
Packaging
10g
Price
$126
Updated
2021/12/16
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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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1H-Imidazol-1-ylacetonitrile Suppliers

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View Lastest Price from 1H-Imidazol-1-ylacetonitrile manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
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
Shaanxi Dideu New Materials Co. Ltd
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
LY Global chemicals co.,ltd .
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

98873-55-3, 1H-Imidazol-1-ylacetonitrileRelated Search:

Methyl 4-imidazolecarboxylate Ethyl imidazole-4-carboxylate Dimethyl 4,5-imidazoledicarboxylate Imidazo[1,5-a]pyridine IMIDAZO[1,2-A]PYRIDINE-6-CARBOXYLIC ACID 1H-Imidazole-2-carboxylic acid 1H-Imidazol-1-ylacetonitrile Lanoconazole Luliconazole 1,3-Bis(cyanomethyl)imidazolium bis(trifluoromethylsulfonyl)imide 1,3-Bis(cyanomethyl)imidazolium chloride 1-(Cyanomethyl)-3-methylimidazolium chloride 2-(4,5-DICHLORO-1H-IMIDAZOL-1-YL)ACETONITRILE 2-[2-(TRIFLUOROMETHYL)-1H-1,3-BENZIMIDAZOL-1-YL]ACETONITRILE CBI-BB ZERO/005479 AKOS BBS-00000213 (2-methyl-1H-benzimidazol-1-yl)acetonitrile SALOR-INT L299758-1EA

  • 1-Imidazolylacetonitrile (1-(Cyanomethyl) imidazole)
  • 1-(Cyanomethyl)imidazole
  • 1-Imidazolylacetonitrile
  • IMIDAZOL-1-YL-ACETONITRILE
  • 1H-imidazole-1-acetonitrile
  • 2-(1-IMidazolyl)acetonitrile
  • 1H-imidazol-1-ylacetonitrile(SALTDATA: FREE)
  • IMidazal-1-yl-acetonitrile
  • Imidazole-1-yl-acetonitrile
  • Imidazole-1-yl-acetonitrile(1-cyanomethyl)imidazole
  • 2-(1H Imidazole -1-yl) acetonitrile
  • Luliconazole Intermediates
  • 1H-imidazole-1-acetonitril
  • 1H-Imidazole-1-yl acetonitrile
  • 1H-IMIDAZOL-1-YLACETONITRILE
  • CjHsN3
  • Luliconazole Impurity 25
  • 98873-55-3