5-Chloro-3-iodo-2-methylaniline

Basic Information

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CAS Number

870606-29-4

Molecular Formula

C7H7ClIN

Molecular Weight

267.5 g/mol

Basic Physical Properties

SMILES

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Clc1cc(N)c(c(c1)I)C

InChI

InChI=1S/C7H7ClIN/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,10H2,1H3

InChIKey

HQLVDQVRDDXAPF-UHFFFAOYSA-N

LogP

2.8352200000000005

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

120

Synonyms & References

English

5-Chloro-3-iodo-2-methylaniline
5-CHLORO-3-IODO-2-METHYLBENZENAMINE
Benzenamine,5-chloro-3-iodo-2-methyl-
AK122296
HQLVDQVRDDXAPF-UHFFFAOYSA-N
RW3766
3727AC
FCH1324160
AX8103509
AB0070798
ST24044638

MDL Number

MFCD08690116

FAQ

What are the physical and chemical properties of 5-Chloro-3-iodo-2-methylaniline (CAS: 870606-29-4)?

5-Chloro-3-iodo-2-methylaniline (CAS: 870606-29-4) appears as a white to off-white crystalline solid. It has a molecular weight of approximately 343.02 g/mol. The compound is poorly soluble in water but soluble in organic solvents such as methanol and ethanol. It is a potent electrophile and shows moderate reactivity in typical organic reactions, particularly nucleophilic substitution and electrophilic aromatic substitution reactions.

How is 5-Chloro-3-iodo-2-methylaniline (CAS: 870606-29-4) typically synthesized?

5-Chloro-3-iodo-2-methylaniline (CAS: 870606-29-4) is typically synthesized via a multi-step process. A common route involves the reaction of 2-methylaniline with iodine and thionyl chloride. This synthesis requires careful control of reaction conditions to ensure high selectivity and yield. The use of a Lewis acid catalyst, such as aluminum chloride, can enhance the reaction efficiency.

What industries use 5-Chloro-3-iodo-2-methylaniline (CAS: 870606-29-4)?

5-Chloro-3-iodo-2-methylaniline (CAS: 870606-29-4) finds applications primarily in the pharmaceutical and material science industries. It is used as an intermediate in the synthesis of various drugs and also as a precursor in the development of advanced polymers and sensors. Its unique chemical properties make it valuable in the semiconductor industry for the production of certain electronic materials.

What precautions should be taken when handling 5-Chloro-3-iodo-2-methylaniline (CAS: 870606-29-4)?

When handling 5-Chloro-3-iodo-2-methylaniline (CAS: 870606-29-4), it is essential to follow strict safety protocols. Wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation exposure. Spills should be handled with caution, using absorbent materials and ensuring proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage guidelines.