(2-Iodophenyl)acetonitrile

Basic Information

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CAS Number

40400-15-5

Molecular Formula

C8H6IN

Molecular Weight

232.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

35°C

Boiling Point

113-120 °C/0.5 mmHg

Refractive Index

n20/D 1.618(lit.)

SMILES

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C1=CC=C(C(=C1)CC#N)I

InChI

InChI=1S/C8H6IN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2

InChIKey

FPSGTRJUQLYLHE-UHFFFAOYSA-N

LogP

2.853600000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

147

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Light Sensitive

Synonyms & References

English

AKOS007930487
1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepinehydrochloride
2-Iodophenylacetonitrile
AM83168
2-iodo-phenylacetonitrile
SY101179
FT-0612686
MFCD00040888
CK2046
DTXSID40402882
CS-0041514
o-Iodobenzyl cyanide
(2-iodo-phenyl)-acetonitrile
SCHEMBL533864
AS-18805
2-Iodophenylacetonitrile, 97%
Benzeneacetonitrile, 2-iodo-
40400-15-5
EN300-202451
2-(2-iodophenyl)acetonitrile
2-Iodobenzyl cyanide
A825092
2-(2-Iodophenyl)acetonitrile
2-iodoBenzeneacetonitrile
C8H6IN
o-IODOPHENYLACETONITRILE
FPSGTRJUQLYLHE-UHFFFAOYSA-N
2-(2-iodophenyl)ethanenitrile
VZ34713
FCH1320148
AS01645

MDL Number

MFCD00040888

Customs Code

2926909090

FAQ

What are the physical and chemical properties of (2-Iodophenyl)acetonitrile (CAS: 40400-15-5)?

(2-Iodophenyl)acetonitrile is a colorless to yellow liquid with a molecular weight of approximately 228.88 g/mol. It has a melting point of -22°C and a boiling point of 161-162°C. This compound is slightly soluble in water but miscible with common organic solvents. It is moderately reactive, especially towards nucleophiles and reducing agents.

How is (2-Iodophenyl)acetonitrile (CAS: 40400-15-5) typically synthesized?

(2-Iodophenyl)acetonitrile can be synthesized through a Grignard reaction using iodobenzene and acetonitrile in the presence of magnesium. The reaction is typically conducted under anhydrous conditions to achieve high yield and selectivity. Catalysts like magnesium may be used to improve the reaction rate and product purity.

What industries use (2-Iodophenyl)acetonitrile (CAS: 40400-15-5)?

(2-Iodophenyl)acetonitrile finds applications in various industries. It is used in the synthesis of pharmaceuticals, where it serves as an intermediate for the production of certain drugs. Additionally, it is utilized in the polymer industry for the development of specialty polymers. Its use in sensors and electronic components, particularly in semiconductor manufacturing, is also notable.

What precautions should be taken when handling (2-Iodophenyl)acetonitrile (CAS: 40400-15-5)?

When handling (2-Iodophenyl)acetonitrile (CAS: 40400-15-5), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood. In case of skin contact, immediately wash with soap and water. For eye contact, rinse with water for at least 15 minutes. In the event of a spill, neutralize the area with water and clean up carefully. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.