3-Fluoro-4-iodobenzonitrile

Basic Information

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CAS Number

887266-99-1

Molecular Formula

C7H3FIN

Molecular Weight

247.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

113.0 to 117.0 deg-C

Boiling Point

268℃

Density

1.98

Flash Point

116℃

SMILES

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C1=CC(=C(C=C1C#N)F)I

InChI

InChI=1S/C7H3FIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H

InChIKey

NPKQMCCUPXZXFI-UHFFFAOYSA-N

LogP

2.30198

Complexity

162

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Class IRRITANT-HARMFUL Class IRRITANT-HARMFUL

Sensitiveness

Light Sensitive

Synonyms & References

English

3-Fluoro-4-iodobenzonitrile
Benzonitrile,3-fluoro-4-iodo-
4-CYANO-2-FLUOROIODOBENZENE
Benzonitrile, 3-fluoro-4-iodo-
PubChem4781
KSC661E6H
NPKQMCCUPXZXFI-UHFFFAOYSA-N
3-fluoro-4-iodobenzenecarbonitrile
PC9581
SBB064505
VZ26806
AS01673
FCH1324319
AM61686
CM13077
3-Fluoro-4-iodobenzonitrile (ACI)
5-Fluoro-4-iodobenzonitrile
3-fluoro-4-iodo-benzonitrile
3-FLUORO-4-IODOBENZONITRILE
887266-99-1
SCHEMBL2326230
AKOS015852994
CS-W016761
3-Fluoro-4-iodobenzonitrile, 97%
AC-4075
SY022904
DTXSID80641056
PS-7516
F1093
DB-078141
EN300-6990796

MDL Number

MFCD07782076

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-Fluoro-4-iodobenzonitrile (CAS: 887266-99-1)?

3-Fluoro-4-iodobenzonitrile (CAS: 887266-99-1) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication standards. In the European Union, it falls under the Registration, Evaluation, Authorization, and restriction of CHemicals (REACH) regulations. For pharmaceutical and food-related applications, it also needs to comply with FDA and EPA requirements. Ensure to handle and manage this compound in accordance with these guidelines to prevent health and environmental risks.

Are there alternatives to 3-Fluoro-4-iodobenzonitrile (CAS: 887266-99-1) in synthesis?

There are alternative reagents that can be used in synthesis, such as 3-iodo-4-fluorobenzonitrile, which can serve as a similar starting material. Other options include substituting the fluoro and iodine groups with different functional groups, depending on the specific requirements of the desired product. These alternatives can help in reducing the cost and improving the safety of the synthesis process.

What is the market or research trend for 3-Fluoro-4-iodobenzonitrile (CAS: 887266-99-1)?

The market for 3-Fluoro-4-iodobenzonitrile (CAS: 887266-99-1) is driven by its use in pharmaceuticals and fine chemicals. Recent research trends focus on developing more efficient synthetic methods and exploring its use in medicinal chemistry. The demand is likely to grow with increased research in drug discovery, particularly for novel therapeutic agents. Price trends suggest a steady demand with minor fluctuations based on supply and demand dynamics.

How should waste containing 3-Fluoro-4-iodobenzonitrile (CAS: 887266-99-1) be handled?

Waste containing 3-Fluoro-4-iodobenzonitrile (CAS: 887266-99-1) should be handled with care to prevent environmental contamination and ensure worker safety. Collect waste liquids in appropriate containers and dispose of them through professional waste disposal services. Incineration may be a suitable method for destruction, but this must be conducted in compliance with local regulations. Always follow safety protocols and ensure proper environmental protection measures are in place during handling and disposal processes.