Iodoacetonitrile

Basic Information

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CAS Number

624-75-9

Molecular Formula

C2H2IN

Molecular Weight

155.97 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Boiling Point

78°C/14mmHg

Density

2.307 g/mL at 25 °C

Water Solubility

Soluble in benzene, alcohol, acetone, ether. Slightly soluble in water. Insoluble in hexane.

Refractive Index

n20/D 1.574(lit.)

SMILES

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C(C#N)I

InChI

InChI=1S/C2H2IN/c3-1-2-4/h1H2

InChIKey

VODKOOOHHCAWFR-UHFFFAOYSA-N

LogP

1.4413

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

41.2

Safety Information

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GHS Hazard Pictograms

H302

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Light Sensitive

Synonyms & References

English

Cyanoiodomethane
EN300-207724
Iodoacetonitrile
Iodoacetonitrile, purum, >=96.0% (GC)
FT-0627258
2-iodoaceto-nitrile
2-iodo acetonitrile
2-iodoacetonitrile
NSC-81208
NSC81208
EXK5ZB5CF6
NSC 81208
SCHEMBL48597
iodo-acetonitrile
CCG-40420
cyanomethyl iodide
Acetonitrile, iodo-
A928520
624-75-9
UNII-EXK5ZB5CF6
InChI=1/C2H2IN/c3-1-2-4/h1H
CS-W016050
A833796
2-iodanylethanenitrile
AKOS000280495
I0419
NS00003640
MFCD00001886
EINECS 210-860-0
C2H2IN
DTXSID8073215

MDL Number

MFCD00001886

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Iodoacetonitrile (CAS: 624-75-9)?

Iodoacetonitrile (CAS: 624-75-9) is a colorless to slightly yellow liquid at room temperature. It has a molecular weight of approximately 203.96 g/mol. This compound is moderately soluble in water and miscible with most organic solvents. It is moderately reactive, particularly with nucleophiles, and can undergo substitution reactions. It is typically stored in a cool, dark place away from direct sunlight and fire sources.

How is Iodoacetonitrile (CAS: 624-75-9) typically synthesized?

Iodoacetonitrile (CAS: 624-75-9) is commonly synthesized by the reaction of acetonitrile with iodine in the presence of a catalyst such as iron(III) chloride. The reaction is typically carried out in an aqueous medium, and the conditions are optimized for yield and selectivity. The product is usually purified by distillation or recrystallization.

What industries use Iodoacetonitrile (CAS: 624-75-9)?

Iodoacetonitrile (CAS: 624-75-9) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for modifying materials, in the semiconductor industry for etching processes, and in the sensor industry for developing gas detection devices. It is also used in research for various analytical and synthesis purposes.

What precautions should be taken when handling Iodoacetonitrile (CAS: 624-75-9)?

When handling Iodoacetonitrile (CAS: 624-75-9), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a fume hood to minimize exposure. In case of a spill, it is important to use absorbent materials and follow local disposal regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.