4,4,4-Trifluoro-1-butanol

Basic Information

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CAS Number

461-18-7

Molecular Formula

C4H7F3O

Molecular Weight

128.09 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

Boiling Point

125°C

Flash Point

52°C

Refractive Index

1.3425

SMILES

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C(CC(F)(F)F)CO

InChI

InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2

InChIKey

VKRFUGHXKNNIJO-UHFFFAOYSA-N

LogP

1.3212

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

58.8

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

AS-38538
DTXSID40196714
T2781
WIY
SB40515
4,4,4-Trifluoro-1-butanol, 98%
CS-W020393
4,4,4-Trifluorobutanol
A826992
461-18-7
CHEMBL4438811
SCHEMBL79029
J-513965
FT-0616971
4,4,4-trifluorobutanol-1
4,4,4-trifluoro-butan-1-ol
1-BUTANOL, 4,4,4-TRIFLUORO-
A6485
MFCD00041483
4,4,4-Trifluoro-1-butanol #
AKOS000278596
EN300-63962
4,4,4-Trifluoro-1-butanol
4,4,4-trifluorobutan-1-ol
4,4,4-tris(fluoranyl)butan-1-ol
AMY6826
4,4,4-Trifluorobutan-1-ol
4,4,4-Trifluorobutanol-1
4,4,4-Trifluoro-n-butanol
VKRFUGHXKNNIJO-UHFFFAOYSA-N
PubChem15240

MDL Number

MFCD00041483

Customs Code

2905590090

FAQ

What are the physical and chemical properties of 4,4,4-Trifluoro-1-butanol (CAS: 461-18-7)?

4,4,4-Trifluoro-1-butanol is a colorless liquid with a molecular weight of 150.08 g/mol. It has a low solubility in water (0.1 g/100 mL at 20°C) and is more soluble in organic solvents. It is relatively stable under normal conditions but can react with strong bases. It is used in the synthesis of other compounds and as a reagent in organic chemistry.

How is 4,4,4-Trifluoro-1-butanol (CAS: 461-18-7) typically synthesized?

4,4,4-Trifluoro-1-butanol is typically synthesized via the reaction of 1-bromobutane with hydrogen fluoride to form 4-bromofluorobutane, which is then reduced to 4,4,4-trifluoro-1-butanol using sodium borohydride or lithium aluminum hydride. The reaction is carried out under anhydrous conditions to promote the desired product formation.

What industries use 4,4,4-Trifluoro-1-butanol (CAS: 461-18-7)?

4,4,4-Trifluoro-1-butanol is used in various industries, including pharmaceuticals, where it serves as a starting material for the synthesis of other compounds. It is also used in the polymer industry for the production of certain plastics and in the manufacturing of sensors and semiconductors for electronic applications.

What precautions should be taken when handling 4,4,4-Trifluoro-1-butanol (CAS: 461-18-7)?

When handling 4,4,4-trifluoro-1-butanol, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The substance should be handled in a well-ventilated area or under a fume hood due to its volatility. Spills should be cleaned up with appropriate absorbents, and the area should be flushed with water. Refer to the Safety Data Sheet (SDS) for more detailed information on handling and storage.