1H-Imidazol-1-ylacetonitrile

Basic Information

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CAS Number

98873-55-3

Molecular Formula

C5H5N3

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

54.0 to 58.0 deg-C

Boiling Point

329.7°C at 760 mmHg

SMILES

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C1=CN(C=N1)CC#N

InChI

InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2

InChIKey

ZPGCVVBPGQJSPX-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

112

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

BCP07459
FT-0660368
(1-Imidazolyl)acetonitrile
BB 0256411
MFCD06421433
(1H-Imidazol-1-yl)acetonitrile
EN300-29880
1H-imidazol-1-ylacetonitrile
DTXSID70472977
AKOS000198442
Imidazol-1-YL-Acetonitrile
1-(CYANOMETHYL)IMIDAZOLE
ZPGCVVBPGQJSPX-UHFFFAOYSA-N
I0990
CS-W021375
1-cyanomethylimidazole
2-imidazol-1-ylacetonitrile
2-(1-Imidazolyl)acetonitrile
RB3041
2-(1H-imidazol-1-yl)acetonitrile
imidazal-1-yl-acetonitrile
Q-101264
SY008199
1H-imidazole-1-acetonitrile
DS-1492
F3020-0289
98873-55-3
AM20120400
SCHEMBL585225
2-(imidazol-1-yl)acetonitrile
Imidazol-1-yl-acetonitrile

MDL Number

MFCD06421433

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1H-Imidazol-1-ylacetonitrile (CAS: 98873-55-3)?

1H-Imidazol-1-ylacetonitrile (CAS: 98873-55-3) is a white crystalline solid with a molecular weight of approximately 115.12 g/mol. It has a low solubility in water but is soluble in common organic solvents. This compound exhibits moderate reactivity, particularly towards nucleophiles, and can be used in various synthetic transformations.

How is 1H-Imidazol-1-ylacetonitrile (CAS: 98873-55-3) typically synthesized?

1H-Imidazol-1-ylacetonitrile (CAS: 98873-55-3) can be synthesized via a multistep procedure involving the reaction of acetonitrile with 1H-imidazole. The synthesis typically uses a mild base like triethylamine as a catalyst, and the product is isolated using standard purification techniques such as recrystallization.

What industries use 1H-Imidazol-1-ylacetonitrile (CAS: 98873-55-3)?

1H-Imidazol-1-ylacetonitrile (CAS: 98873-55-3) finds applications in multiple industries, including pharmaceuticals for its potential as a precursor in drug synthesis, and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1H-Imidazol-1-ylacetonitrile (CAS: 98873-55-3)?

When handling 1H-Imidazol-1-ylacetonitrile (CAS: 98873-55-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize exposure. In case of spill, neutralize with a suitable base and handle according to standard laboratory safety protocols; always refer to the Material Safety Data Sheet (MSDS) for specific guidance.