3,4,5-Trifluorophenol

Basic Information

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CAS Number

99627-05-1

Molecular Formula

C6H3F3O

Molecular Weight

148.08 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

55.0 to 59.0 deg-C

Boiling Point

177°C

Density

1.629 g/cm3 (20℃)

Flash Point

177°C

Solubility

104g/l OECD Test Guideline 105

SMILES

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

InChI

InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H

InChIKey

ZRTWIJKGTUGZJY-UHFFFAOYSA-N

LogP

1.8094999999999997

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

108

Safety Information

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GHS Hazard Pictograms

H301

H314

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 (6.1) Class 8 (6.1)

Synonyms & References

English

AS-14505
CS-W013306
PHENOL, 3,4,5-TRIFLUORO-
3,4,5-Trifluorophenol
4ZDN5FRN89
3,4,5-Trifluorophenol, >=98.0%
EN300-24413
ZRTWIJKGTUGZJY-UHFFFAOYSA-N
AKOS005063842
99627-05-1
3,4,5-trifluoro-phenol
AC-3820
AM20050036
DTXSID00380718
FT-0614148
MFCD00042427
A19877
J-511110
3,4,5-Tris(Fluoranyl)phenol
SCHEMBL156893
3,4,5-Trifluorphenol
PHENOL,3,4,5-TRIFLUORO
TFBOH
PubChem2316
KSC486M6R
3 , 4 , 5-Trifluorophenol
SBB086569
VZ25426
PF10638
TRA0080363
LS10470

MDL Number

MFCD00042427

Customs Code

2908999090

FAQ

What is 3,4,5-Trifluorophenol (CAS: 99627-05-1)?

3,4,5-Trifluorophenol (CAS: 99627-05-1) is a fluorinated aromatic compound with the chemical formula C6H2F3OH. It is a colorless solid known for its strong acidic properties due to the electron-withdrawing effect of fluorine substituents. The compound exhibits low solubility in water but is soluble in organic solvents. Its unique structure makes it valuable in various chemical applications.

What are the main uses of 3,4,5-Trifluorophenol (CAS: 99627-05-1)?

3,4,5-Trifluorophenol (CAS: 99627-05-1) is primarily used in pharmaceuticals as a key intermediate in drug synthesis, particularly for compounds with antimicrobial and anti-inflammatory properties. It also finds applications in organic chemistry research, agrochemicals, and materials science due to its reactivity and stability. Its use in food is limited, but it may appear in flavor or fragrance compounds.

Is 3,4,5-Trifluorophenol (CAS: 99627-05-1) safe?

3,4,5-Trifluorophenol (CAS: 99627-05-1) requires careful handling due to potential toxicity. It may cause skin and eye irritation, and inhalation can be harmful. Safety standards recommend using appropriate protective equipment, such as gloves and goggles, and working in a well-ventilated area. Proper disposal and adherence to OSHA guidelines are essential for safe handling.

How should 3,4,5-Trifluorophenol (CAS: 99627-05-1) be stored?

3,4,5-Trifluorophenol (CAS: 99627-05-1) should be stored in a cool, dry, and dark place, ideally below 25°C, to maintain stability. It requires a sealed container to prevent moisture absorption and contamination. Avoid exposure to light and air to minimize degradation. Storage guidelines also emphasize keeping it away from incompatible substances and in a fire-resistant cabinet.