1-Fluoro-4-iodo-2-methylbenzene

Basic Information

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CAS Number

452-68-6

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

87°C/9.0mmHg

Density

1.115

Flash Point

86-87℃/9mm

Refractive Index

1.578

SMILES

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

InChI

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

InChIKey

DYQIYXDSKUUZRI-UHFFFAOYSA-N

LogP

2.7387200000000007

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

H315

H319

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

Sensitiveness

Light Sensitive

Synonyms & References

English

W-106151
CS-W010322
452-68-6
1-Fluoro-4-iodo-2-methylbenzene
FT-0612358
F1004
EN300-646039
1-fluoro-4-iodo-2-methyl-benzene
2-fluoro-5-iodotoluene, AldrichCPR
DTXSID70196424
SCHEMBL1049725
AC-9826
NS00043978
EINECS 207-206-1
SY016081
Benzene, 1-fluoro-4-iodo-2-methyl-
5-iodo-2-fluorotoluene
1-Fluoro-4-iodo-2-methylbenzene #
DS-0874
O10783
4-fluoro-3-methyl-iodobenzene
2-Fluoro-5-iodotoluene
2,2-DIMETHYL-MALONAMICACID
AKOS009159271
MFCD00013710
AM20050267
DYQIYXDSKUUZRI-UHFFFAOYSA-N
PubChem1619
KSC493M8F
SBB098506
PF10

MDL Number

MFCD00013710

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Fluoro-4-iodo-2-methylbenzene (CAS: 452-68-6)?

1-Fluoro-4-iodo-2-methylbenzene (CAS: 452-68-6) is a crystalline solid with a molecular weight of approximately 269.96 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. Chemically, it is relatively unreactive under normal conditions, but it can undergo substitution reactions, particularly with nucleophiles. It is less reactive than many aromatic compounds due to the electron-withdrawing effect of the fluoro and iodine substituents.

How is 1-Fluoro-4-iodo-2-methylbenzene (CAS: 452-68-6) typically synthesized?

1-Fluoro-4-iodo-2-methylbenzene (CAS: 452-68-6) can be synthesized through various methods, including the Friedel-Crafts alkylation of toluene with methyl iodide and subsequent fluorination with hydrogen fluoride. Another route involves the iodination of 1-fluoro-2-methylbenzene followed by amination using methyl iodide and ammonium nitrate. These reactions typically require mild to moderate conditions and can achieve good yields.

What industries use 1-Fluoro-4-iodo-2-methylbenzene (CAS: 452-68-6)?

1-Fluoro-4-iodo-2-methylbenzene (CAS: 452-68-6) is primarily used in the pharmaceutical industry for the synthesis of certain drug compounds due to its unique chemical structure. It is also utilized in the production of organic dyes and in the preparation of other organofluorine compounds. Its specific application in polymers and sensors is limited but under investigation for its electronic properties.

What precautions should be taken when handling 1-Fluoro-4-iodo-2-methylbenzene (CAS: 452-68-6)?

When handling 1-Fluoro-4-iodo-2-methylbenzene (CAS: 452-68-6), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential. Work in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and guidelines.