3-Fluoro-2-iodoaniline

Basic Information

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CAS Number

706752-99-0

Molecular Formula

C6H5FIN

Molecular Weight

237.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

52-54℃

Boiling Point

264.3°C at 760 mmHg

Density

2.008

Flash Point

114℃

SMILES

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

InChI

InChI=1S/C6H5FIN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2

InChIKey

WFIMPUNNSNCOAZ-UHFFFAOYSA-N

LogP

2.0125

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

99.1

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

MFCD08458368
3-Fluoro-2-iodo-phenylamine
SCHEMBL1964436
WFIMPUNNSNCOAZ-UHFFFAOYSA-N
FT-0692163
706752-99-0
3-Fluoro-2-iodoaniline
EN300-113326
J-512456
AKOS005064109
SY112678
DS-12259
Benzenamine, 3-fluoro-2-iodo-
AC-3678
3-fluoro-2-iodo-aniline
2-IODO-3-FLUOROANILINE
3-FLUORO-2-IODOBENZENAMINE
PubChem1533
3-Fluoro-2-iodophenylamine
2-iodo-3-fluoroaniline HCl
Jsp001504
3-FLUORO-2-IODO-BENZENAMINE
XF10101
RP28262
LS10450
CM11455
AS04078

MDL Number

MFCD08458368

FAQ

What are the physical and chemical properties of 3-Fluoro-2-iodoaniline (CAS: 706752-99-0)?

3-Fluoro-2-iodoaniline (CAS: 706752-99-0) is a solid with a crystalline form. Its molecular weight is approximately 255.11 g/mol. This compound is poorly soluble in water but soluble in organic solvents like dichloromethane and acetonitrile. It is highly reactive due to the presence of an aromatic ring and an iodine substituent, which can participate in nucleophilic substitution reactions.

How is 3-Fluoro-2-iodoaniline (CAS: 706752-99-0) typically synthesized?

3-Fluoro-2-iodoaniline (CAS: 706752-99-0) is typically synthesized through the reaction of 3-fluoroaniline with iodine in the presence of a Lewis acid catalyst, such as aluminum chloride. The reaction is carried out in a suitable organic solvent. The yield and selectivity of the reaction can be optimized by controlling the reaction conditions, such as temperature and solvent choice.

What industries use 3-Fluoro-2-iodoaniline (CAS: 706752-99-0)?

3-Fluoro-2-iodoaniline (CAS: 706752-99-0) is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drug candidates and is also utilized in the preparation of organic semiconductors and polymer materials. Its use in sensors and electronic devices is also being explored due to its unique chemical properties.

What precautions should be taken when handling 3-Fluoro-2-iodoaniline (CAS: 706752-99-0)?

When handling 3-Fluoro-2-iodoaniline (CAS: 706752-99-0), it is essential to use appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.