3-Iodobenzaldehyde

Basic Information

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CAS Number

696-41-3

Molecular Formula

C7H5IO

Molecular Weight

232.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

56.0 to 61.0 deg-C

Boiling Point

125°C/13mmHg

Density

1.8576 (estimate)

Water Solubility

Slightly soluble in water.

Flash Point

124-125℃/13mm

Refractive Index

1.668

SMILES

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C1=CC(=CC(=C1)I)C=O

InChI

InChI=1S/C7H5IO/c8-7-3-1-2-6(4-7)5-9/h1-5H

InChIKey

RZODAQZAFOBFLS-UHFFFAOYSA-N

LogP

2.1037

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

103

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 IRRITANT Class IRRITANT

Class AIR SENSITIVE Class AIR SENSITIVE

Class KEEP COLD Class KEEP COLD

Sensitiveness

Air & Light Sensitive

Synonyms & References

English

AKOS000478333
DTXSID80291292
AM20041027
m-Jodbenzaldehyd
A836581
SY011761
Z57887683
I0611
PS-6040
696-41-3
3-Iodobenzaldehyde, 97%
SCHEMBL97069
CS-W007699
3-Iodo-benzaldehyde
3-Iodobenzaldehyde
3-iodo benzaldehyde
Benzaldehyde, 3-iodo-
EN300-112542
NSC-74694
FT-0615893
MFCD00039573
NSC74694
3-iodbenzaldehyd
RZODAQZAFOBFLS-UHFFFAOYSA-N
J-512697
3-iodanylbenzaldehyde
1-Formyl-3-iodobenzene
3-Jod-benzaldehyd
Benzaldehyde,3-iodo
meta-iodobenzaldehyde
m-iodobenzaldehyde

MDL Number

MFCD00039573

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 3-Iodobenzaldehyde (CAS: 696-41-3)?

3-Iodobenzaldehyde (CAS: 696-41-3) is a colorless to pale yellow liquid with a molecular weight of approximately 224.22 g/mol. It has a high boiling point of 202-204°C and a low solubility in water, making it more soluble in organic solvents. It is moderately reactive, particularly towards nucleophiles, and can undergo electrophilic aromatic substitution reactions.

How is 3-Iodobenzaldehyde (CAS: 696-41-3) typically synthesized?

3-Iodobenzaldehyde (CAS: 696-41-3) is synthesized through the reaction of benzaldehyde with iodine in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction is selective and yields a high purity product, making it a common method for industrial synthesis.

What industries use 3-Iodobenzaldehyde (CAS: 696-41-3)?

3-Iodobenzaldehyde (CAS: 696-41-3) is used extensively in the pharmaceutical industry for the synthesis of various chemical intermediates and drugs. It is also utilized in the polymer industry for the development of functionalized polymers and in the sensor industry for the fabrication of gas sensors.

What precautions should be taken when handling 3-Iodobenzaldehyde (CAS: 696-41-3)?

When handling 3-Iodobenzaldehyde (CAS: 696-41-3), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.