1-(Pentafluorophenyl)ethanol

Basic Information

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CAS Number

830-50-2

Molecular Formula

C8H5F5O

Molecular Weight

212.12 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

34-37°C

Boiling Point

102-103°C/30mm

Flash Point

87°C

Refractive Index

1.44

SMILES

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CC(C1=C(C(=C(C(=C1F)F)F)F)F)O

InChI

InChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3

InChIKey

WYUNHWKTLDBPLE-UHFFFAOYSA-N

LogP

2.4354000000000005

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

186

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

Synonyms & References

English

1-(perfluorophenyl)ethanol
2,3,4,5,6-Pentafluoro-alpha-methylbenzyl alcohol
A840494
EINECS 212-597-7
1-(pentafluorophenyl)ethan-1-ol
CS-0312639
WYUNHWKTLDBPLE-UHFFFAOYSA-N
2,3,4,5,6-Pentafluoro-.alpha.-methylbenzyl alcohol
P0925
AKOS015853262
PS-10083
SY112302
CK2468
NSC97014
1-(Pentafluorophenyl)ethanol, 96%
NSC-97014
SCHEMBL1756535
FT-0770663
FT-0605851
1-(Perfluorophenyl)ethan-1-ol
FT-0723810
MFCD00004510
1-(PENTAFLUOROPHENYL)ETHANOL, 97
DTXSID50997214
(+/-)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol
830-50-2
FT-0772219
Benzenemethanol, 2,3,4,5,6-pentafluoro-.alpha.-methyl-
(1-Hydroxyethyl)pentafluorobenzene
NSC 97014
75853-08-6

MDL Number

MFCD00004510

Customs Code

2906299090

FAQ

What regulatory guidelines apply to 1-(Pentafluorophenyl)ethanol (CAS: 830-50-2)?

1-(Pentafluorophenyl)ethanol (CAS: 830-50-2) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which includes classification as a flammable liquid. It is also subject to the European Union's Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulations, which may require reporting to ECHA. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements related to its use and disposal.

Are there alternatives to 1-(Pentafluorophenyl)ethanol (CAS: 830-50-2) in synthesis?

Alternatives to 1-(Pentafluorophenyl)ethanol (CAS: 830-50-2) in synthesis include other pentafluorophenyl ether derivatives or using pentafluorophenyl acetic acid. These alternatives can provide similar functionalities but with different reactivity profiles, allowing for different synthetic strategies depending on the specific application and desired outcome.

What is the market or research trend for 1-(Pentafluorophenyl)ethanol (CAS: 830-50-2)?

The market for 1-(Pentafluorophenyl)ethanol (CAS: 830-50-2) is expected to grow due to its use in pharmaceuticals, organic synthesis, and as a precursor to other compounds. Research trends are focusing on its use in developing new drugs and materials. However, the limited availability and high cost may limit its widespread use in large-scale applications.

How should waste containing 1-(Pentafluorophenyl)ethanol (CAS: 830-50-2) be handled?

Waste containing 1-(Pentafluorophenyl)ethanol (CAS: 830-50-2) should be collected in a sealed, appropriate container and disposed of through a professional waste disposal service. Incineration may be a preferred method due to its flammability. Proper environmental protection measures should be taken to prevent hazardous material release into the environment during collection and disposal processes.