2-Chloro-5-fluorophenol

Basic Information

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CAS Number

3827-49-4

Molecular Formula

C6H4ClFO

Molecular Weight

146.55 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

183-185 ºC

Flash Point

183-185°C

Refractive Index

1.524-1.526

SMILES

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

InChI

InChI=1S/C6H4ClFO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H

InChIKey

CMQOZIKIOASEIN-UHFFFAOYSA-N

LogP

2.1847000000000003

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

99.1

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 8 Class 8

Synonyms & References

English

SY022945
DTXSID80369147
MFCD00042524
AC-25971
NS00120744
2-Chloro-5-fluorophenol, AldrichCPR
SCHEMBL70547
PS-8945
FT-0635028
AKOS005063843
EN300-115639
CMQOZIKIOASEIN-UHFFFAOYSA-N
BP-20171
J-508831
AM20050147
CS-W004781
3827-49-4
2-chloro-5-fluorophenol
2-Chloro-5-fluorophenol
2-chloro-5-fluoro-phenol
PubChem2146
2-chloro-5-fluorphenol
KSC226K0T
SBB086520
LS10485
AS00194
RL03464
CM11677
Not Known
ST2416

MDL Number

MFCD00042524

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 2-Chloro-5-fluorophenol (CAS: 3827-49-4)?

2-Chloro-5-fluorophenol (CAS: 3827-49-4) is a white or off-white crystalline solid with a molecular weight of 156.01 g/mol. It has a melting point of 61-62°C and a solubility of 21.5 g/L in water. It is moderately reactive, particularly with bases and reducing agents. It is used in organic synthesis and as an intermediate in the production of dyes and pharmaceuticals.

How is 2-Chloro-5-fluorophenol (CAS: 3827-49-4) typically synthesized?

2-Chloro-5-fluorophenol (CAS: 3827-49-4) is typically synthesized by the chlorination of 5-fluoro-m-phenylenediamine. This process involves the use of thionyl chloride as a chlorinating agent. The reaction is carried out under anhydrous conditions, and the yield is around 90%. The reaction is selective and produces the desired product with high purity.

What industries use 2-Chloro-5-fluorophenol (CAS: 3827-49-4)?

2-Chloro-5-fluorophenol (CAS: 3827-49-4) is used in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It also finds applications in the production of dyes, pesticides, and as an additive in various chemical formulations. Additionally, it is used in the preparation of functional materials and in some analytical and sensor applications.

What precautions should be taken when handling 2-Chloro-5-fluorophenol (CAS: 3827-49-4)?

When handling 2-Chloro-5-fluorophenol (CAS: 3827-49-4), it is essential to wear proper personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation or skin contact. Spills should be cleaned up immediately using appropriate absorbents, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage recommendations.