4-Fluoro-1,3-benzenediol

Basic Information

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CAS Number

103068-41-3

Molecular Formula

C6H5FO2

Molecular Weight

128.1 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

95.0 to 101.0 deg-C

Boiling Point

240.8±10.0 °C at 760 mmHg

Density

1.415

Flash Point

99.4±19.0 °C

Refractive Index

1.526

SMILES

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C1=CC(=C(C=C1O)O)F

InChI

InChI=1S/C6H5FO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

InChIKey

XPOIJNIQXJYQOV-UHFFFAOYSA-N

LogP

1.2368999999999999

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

97.1

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
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

Synonyms & References

English

FT-0601456
103068-41-3
4-Fluororesorcinol, 97%
AKOS005063545
DTXSID90441640
MFCD03789074
CHEMBL2332777
TS-01676
1,3-Benzenediol, 4-fluoro-
J-515430
4-Fluoro-1,3-benzenediol
XPOIJNIQXJYQOV-UHFFFAOYSA-N
SY027081
4-fluorobenzene-1,3-diol
4-Fluororesorcinol;4-FLUORO-1,3-DIHYDROXYBENZENE
1-Fluoro-2,4-dihydroxybenzene
SCHEMBL701084
HY-W003112
4fluororesorcinol
F0741
CS-W003112
J-000867
4-Fluoro-1,3-dihydroxybenzene
BCP26770
4-Fluororesorcinol
4-fluoroben-zene-1,3-diol
AMY16023
PD171603
4-FLUORO-1,3-DIHYDROXYBENZENE
4-Fluorobenzene-1,3-diol
4-Fluoro-1,3-benzenediol, 4-Fluoro-1,3-dihydroxybenzene

MDL Number

MFCD03789074

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 4-Fluoro-1,3-benzenediol (CAS: 103068-41-3)?

4-Fluoro-1,3-benzenediol (CAS: 103068-41-3) is a colorless solid with a crystalline form at room temperature. It has a molecular weight of approximately 176.05 g/mol. This compound is slightly soluble in water and ethanol. It is chemically reactive, particularly towards acids and bases, and can undergo substitution reactions. It is a versatile compound with potential applications in pharmaceuticals and chemical synthesis.

How is 4-Fluoro-1,3-benzenediol (CAS: 103068-41-3) typically synthesized?

4-Fluoro-1,3-benzenediol (CAS: 103068-41-3) is typically synthesized via the reduction of 4-fluoro-1,3-benzoyl dichloride with sodium borohydride in the presence of a solvent like tetrahydrofuran (THF). The reaction proceeds under mild conditions, yielding a high yield of the target compound with good selectivity. This method is commonly used in laboratory settings and industrial processes.

What industries use 4-Fluoro-1,3-benzenediol (CAS: 103068-41-3)?

4-Fluoro-1,3-benzenediol (CAS: 103068-41-3) is used in various industries. It finds applications in the pharmaceutical industry, where it serves as a precursor for the synthesis of active pharmaceutical ingredients. Additionally, it is utilized in the production of certain polymers and as a reagent in chemical synthesis for developing new materials. Its use in sensors and semiconductor technology is also expanding due to its unique chemical properties.

What precautions should be taken when handling 4-Fluoro-1,3-benzenediol (CAS: 103068-41-3)?

When handling 4-Fluoro-1,3-benzenediol (CAS: 103068-41-3), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed information on handling, storage, and emergency procedures. Proper disposal methods should be followed to ensure environmental safety.