4-Iodobenzonitrile

Basic Information

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CAS Number

3058-39-7

Molecular Formula

C7H4IN

Molecular Weight

229.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

124-128 °C

Boiling Point

271.6 °C at 760 mmHg

Water Solubility

Insoluble in water.

Flash Point

118℃

Refractive Index

1.66

SMILES

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C1=CC(=CC=C1C#N)I

InChI

InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H

InChIKey

XOKDXPVXJWTSRM-UHFFFAOYSA-N

LogP

2.16288

Complexity

127

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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

Sensitiveness

Light Sensitive

Synonyms & References

English

4-Iodobenzonitrile, 97%
FT-0656489
J-515571
p-Jodbenzonitril
NSC-87894
I0661
4-Iodobenzonitrile
CL8216
CS-W009114
3058-39-7
DS-1568
Benzonitrile, 4-iodo-
FT-0634624
SY016999
Z57899725
Benzonitrile, p-iodo-
AM20040140
p-iodo-benzonitrile
p-Cyanoiodobenzene
SCHEMBL82069
4-iodo-benzonitrile
EN300-67216
1-Cyano-4-iodobenzene
J-018030
DTXSID3062819
AKOS005146080
4-CYANOIODOBENZENE
NSC87894
NS00028943
AC-22944
MFCD00051310

MDL Number

MFCD00051310

Customs Code

2926909090

FAQ

What is 4-Iodobenzonitrile (CAS: 3058-39-7)?

4-Iodobenzonitrile (CAS: 3058-39-7) is an organic compound with the chemical formula C6H4I-CN. It is a white solid that is insoluble in water but soluble in organic solvents. This compound is used in various chemical reactions and can be found in pharmaceutical research and industrial applications.

What are the main uses of 4-Iodobenzonitrile (CAS: 3058-39-7)?

4-Iodobenzonitrile (CAS: 3058-39-7) is primarily used in synthesizing other organic compounds, particularly in the pharmaceutical industry for drug development. It is also utilized in the production of dyes, pesticides, and as a precursor in various chemical reactions.

Is 4-Iodobenzonitrile (CAS: 3058-39-7) safe?

4-Iodobenzonitrile (CAS: 3058-39-7) is not considered safe for general handling due to its potential for skin irritation and inhalation risks. Appropriate protective measures such as gloves, goggles, and a fume hood are essential when working with this compound.

How should 4-Iodobenzonitrile (CAS: 3058-39-7) be stored?

4-Iodobenzonitrile (CAS: 3058-39-7) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to moisture and air. Storage at room temperature is recommended, but a refrigerator can also be used if the environment is unstable or during transportation.