3-iodoaniline

Basic Information

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CAS Number

626-01-7

Molecular Formula

C6H6IN

Molecular Weight

219.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

21-24 °C

Boiling Point

116°C/4mmHg

Density

1.821 g/mL at 25 °C

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.682(lit.)

SMILES

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C1=CC(=CC(=C1)I)N

InChI

InChI=1S/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

InChIKey

FFCSRWGYGMRBGD-UHFFFAOYSA-N

LogP

1.8734000000000002

pKa

3.58(at 25℃)

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

74.9

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H332

H335

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

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(b) Class 6.1(b)

Sensitiveness

Light Sensitive

Synonyms & References

English

m-Aminoiodobenzene
STR02547
m-Iodoaniline
CS-W007373
Benzenamine, 3-iodo-
3-I-C6H4NH2
NS00035092
InChI=1/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
MFCD00007781
(3-iodo-phenyl)-amine
3-Iodo-phenylamine
BDBM626088
Z104477944
N10375
FT-0615891
AM20040892
PS-5285
EINECS 210-922-7
NSC-34545
3-iodo-aniline
2-Cyclopentylvalericacid
SCHEMBL177007
DTXSID4060812
3iodoaniline
AKOS000120390
SB78721
3-Iodoaniline, purum, >=97.0% (NT)
W-104984
Aniline, m-iodo-
3-IODOANILINE
3-Iodobenzenamine

MDL Number

MFCD00007781

Customs Code

29214210

FAQ

What are the physical and chemical properties of 3-iodoaniline (CAS: 626-01-7)?

3-Iodoaniline (CAS: 626-01-7) is a white to pale yellow crystalline solid with a molecular weight of approximately 216.02 g/mol. It is slightly soluble in water but readily soluble in organic solvents like ethanol and acetone. This compound is known for its reactivity, particularly in nucleophilic substitution reactions due to the presence of the iodo group.

How is 3-iodoaniline (CAS: 626-01-7) typically synthesized?

3-Iodoaniline (CAS: 626-01-7) is typically synthesized by iodination of aniline using sodium iodide in an aqueous solution. The reaction is usually catalyzed by an acid, such as sulfuric acid, and proceeds via electrophilic aromatic substitution. The yield is generally high, and selectivity is good for this transformation.

What industries use 3-iodoaniline (CAS: 626-01-7)?

3-Iodoaniline (CAS: 626-01-7) is used in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of analgesic and anti-inflammatory drugs. It also finds applications in the production of dyes and pigments. Additionally, it is utilized in the development of certain polymers and as a component in the manufacturing of sensors and semiconductors.

What precautions should be taken when handling 3-iodoaniline (CAS: 626-01-7)?

3-Iodoaniline (CAS: 626-01-7) should be handled with caution due to its reactivity and potential for skin and eye irritation. It is recommended to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. In case of a spill, follow the guidelines in the Safety Data Sheet (SDS) for proper cleanup.