1-Fluoro-3-iodo-5-methylbenzene

Basic Information

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CAS Number

491862-84-1

Molecular Formula

C7H6FI

Molecular Weight

236.03 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

207.4±20.0 ºC (760 Torr),

Refractive Index

n20/D 1.577

SMILES

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CC1=CC(=CC(=C1)I)F

InChI

InChI=1S/C7H6FI/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3

InChIKey

OIYMMFUTIUURQT-UHFFFAOYSA-N

LogP

2.7387200000000016

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

94.9

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

5-Fluoro-3-iodotoluene
491862-84-1
Benzene, 1-fluoro-3-iodo-5-methyl-
5-Fluoro-3-iodotoluene, 97%
3-Fluoro-5-iodotoluene
1-fluoro-3-iodo-5-methylbenzene
A19637
MFCD07779015
AC7974
DTXSID60475932
OIYMMFUTIUURQT-UHFFFAOYSA-N
AM62010
SCHEMBL4385409
EN300-206172
FT-0658763
CS-W012881
SY127952
AKOS015890066
AC-7440
AS-11100
1-Fluoro-3-iodo-5-methylbenzene
3-FLUORO-5-IODOTOLUENE
3-FLUORO-5-METHYLIODOBENZENE
3-FLUORO-5-IODOMETHYLBENZENE
PubChem4547
3-fluoro-1-iodo-5-methylbenzene
1-fluoro-3-iodo-5-methyl-benzene
Benzene,1-fluoro-3-iodo-5-methyl-
SBB098503
AS02075

MDL Number

MFCD07779015

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Fluoro-3-iodo-5-methylbenzene (CAS: 491862-84-1)?

1-Fluoro-3-iodo-5-methylbenzene (CAS: 491862-84-1) is a crystalline solid with a molecular weight of approximately 264.9 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetonitrile. The compound is relatively unreactive under normal conditions but can undergo substitution reactions under appropriate conditions. It has a high melting point and is typically stable under standard laboratory conditions.

How is 1-Fluoro-3-iodo-5-methylbenzene (CAS: 491862-84-1) typically synthesized?

1-Fluoro-3-iodo-5-methylbenzene (CAS: 491862-84-1) is typically synthesized via a fluorination and iodination process. The starting material, 5-methylbenzofluoride, is treated with iodine in the presence of a Lewis acid catalyst such as aluminum chloride to form the intermediate. Further treatment with other reagents leads to the final product. The overall process yields up to 90% of the target compound, with good selectivity and purity.

What industries use 1-Fluoro-3-iodo-5-methylbenzene (CAS: 491862-84-1)?

1-Fluoro-3-iodo-5-methylbenzene (CAS: 491862-84-1) is used in the pharmaceutical industry for the synthesis of certain drugs due to its unique structural properties. It is also utilized in the polymer industry for the development of specialized materials with specific functionalities. Additionally, it has potential applications in the field of sensors and semiconductors, although its primary use remains in the pharmaceutical sector.

What precautions should be taken when handling 1-Fluoro-3-iodo-5-methylbenzene (CAS: 491862-84-1)?

When handling 1-Fluoro-3-iodo-5-methylbenzene (CAS: 491862-84-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood due to its potential for inhalation hazards. Handling should be done with care to avoid skin contact. In the event of a spill, ensure proper containment and disposal according to safety data sheet (SDS) guidelines. Always refer to the latest SDS for detailed safety instructions.