3-Fluoro-2-iodotoluene

Basic Information

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CAS Number

883502-14-5

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

212℃ at 760 mmHg

Density

1.788

Flash Point

85℃

SMILES

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

InChI

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

InChIKey

WXHRYDHCFKJKKO-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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Hazard Statement

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

1-Fluoro-2-iodo-3-methylbenzene
3-Fluoro-2-iodotoluene
Benzene, 1- fluoro-2-iodo-3-methyl-
2-Iodo-3-fluorotoluene
1-fluoro-2-iodo-3-methyl-benzene
PubChem4552
WXHRYDHCFKJKKO-UHFFFAOYSA-N
Benzene,1-fluoro-2-iodo-3-methyl-
VZ26780
AS05019
LS10535
AS02032
AM62220
SY047848
AB0031427
ST2415337
X4518
A19669
1-fluoro-2-iodo-3-methylbenzene
1-Fluoro-2-iodo-3-methylbenzene (ACI)
SCHEMBL5979692
DTXSID20397106
3-Fluoro-2-iodo-3-methylbenzene
3-FLUORO-2-IODOTOLUENE
CS-W021322
GS-3856
EN300-206171
DB-000366
J-512457
AKOS015890291
883502-14-5

MDL Number

MFCD04973438

FAQ

What are the physical and chemical properties of 3-Fluoro-2-iodotoluene (CAS: 883502-14-5)?

3-Fluoro-2-iodotoluene (CAS: 883502-14-5) is a colorless liquid with a molecular weight of approximately 268.07 g/mol. It has a high boiling point of around 235°C and low water solubility. This compound is less reactive than its parent toluene but exhibits potential reactivity in halogenation and substitution reactions.

How is 3-Fluoro-2-iodotoluene (CAS: 883502-14-5) typically synthesized?

3-Fluoro-2-iodotoluene is usually synthesized via the reaction of 2-iodotoluene with hydrogen fluoride. The reaction involves a fluoride substitution at the 3-position of the toluene ring, typically conducted in the presence of a Lewis acid catalyst to enhance the reaction selectivity and yield.

What industries use 3-Fluoro-2-iodotoluene (CAS: 883502-14-5)?

3-Fluoro-2-iodotoluene (CAS: 883502-14-5) is primarily used in the pharmaceutical industry for the synthesis of drugs and intermediates. It also finds applications in organic chemistry and materials science, particularly in the production of polymers and sensors.

What precautions should be taken when handling 3-Fluoro-2-iodotoluene (CAS: 883502-14-5)?

When handling 3-Fluoro-2-iodotoluene (CAS: 883502-14-5), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood due to its potential to volatilize. Spills should be cleaned up using appropriate methods and materials. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.