1,1,1-Trifluoro-4-iodobutane

Basic Information

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CAS Number

461-17-6

Molecular Formula

C4H6F3I

Molecular Weight

237.99 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Basic Physical Properties

Boiling Point

125 ºC

Flash Point

42 ºC

Refractive Index

1.4326

SMILES

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C(CC(F)(F)F)CI

InChI

InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2

InChIKey

LNDGACQEAYKNOI-UHFFFAOYSA-N

LogP

2.7639000000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

58.8

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Light Sensitive

Synonyms & References

English

AKOS003630693
1-Iodo-4,4,4-trifluorobutane
MFCD00041543
C4H6F3I
4,4,4-trifluoro-1-iodobutane
4-iodo-1,1,1-trifluorobutane
4,4,4-trifluorobutyliodide
SCHEMBL980219
AMY19977
Butane, 1,1,1-trifluoro-4-iodo-
FT-0607952
AS-31128
DTXSID80379443
EN300-7253554
A826991
SY013146
1,1,1-Trifluoro-4-iodobutane
4,4,4-Trifluorobutyl iodide
461-17-6
CS-0041662
NS00123223
T2529
Acetamide, N-(3-bromophenyl)-2,2,2-trichloro-
1-iodo-4,4,4-trifluoro-butane
1,1,1-trifluoro-4-iodo-butane
4,4,4-Trifluorobutyl iodide~4,4,4-Trifluoro-1-iodobutane
4-Iodo-1,1,1-trifluorobutane
LNDGACQEAYKNOI-UHFFFAOYSA-N
KSC235M2J
3994AE
SBB098875

MDL Number

MFCD00041543

Customs Code

2903799090

FAQ

What regulatory guidelines apply to 1,1,1-Trifluoro-4-iodobutane (CAS: 461-17-6)?

1,1,1-Trifluoro-4-iodobutane (CAS: 461-17-6) is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a health hazard. According to REACH regulations, it requires a safety data sheet (SDS) and registration with the European Chemicals Agency, if produced or imported in quantities above 1 ton per year. The U.S. FDA and EPA may also have specific labeling and registration requirements for this compound, depending on its intended use.

Are there alternatives to 1,1,1-Trifluoro-4-iodobutane (CAS: 461-17-6) in synthesis?

While 1,1,1-Trifluoro-4-iodobutane (CAS: 461-17-6) is a specific compound, alternative reagents such as 1,1,1-trifluoro-2-bromobutane can be used as a precursor in similar synthetic pathways. Additionally, other fluoroalkyl iodides might serve as viable alternatives, depending on the specific reaction conditions and desired product structure.

What is the market or research trend for 1,1,1-Trifluoro-4-iodobutane (CAS: 461-17-6)?

The market for 1,1,1-Trifluoro-4-iodobutane (CAS: 461-17-6) remains niche due to its specialized applications. Research trends indicate increased interest in fluoroalkyl iodides for their unique reactivity in organic synthesis, particularly in the development of new pharmaceuticals and materials. However, cost and availability remain significant barriers to wider market adoption.

How should waste containing 1,1,1-Trifluoro-4-iodobutane (CAS: 461-17-6) be handled?

Waste containing 1,1,1-Trifluoro-4-iodobutane (CAS: 461-17-6) should be collected in sealed, leak-proof containers and disposed of through a licensed hazardous waste management facility. Incineration is a common method for disposal, provided it is conducted at a properly equipped facility to prevent environmental contamination. Protective measures, including appropriate personal protective equipment (PPE) and containment, must be implemented during handling and disposal to ensure occupational safety and environmental protection.