3,5-Dichlorophenol

Basic Information

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CAS Number

591-35-5

Molecular Formula

C6H4Cl2O

Molecular Weight

163 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

65-68 °C

Boiling Point

233 °C

Water Solubility

Slightly soluble in water. Very soluble in ethanol, ethyl ether and petroleum ether.

Flash Point

233°C

Refractive Index

1.4430 (estimate)

SMILES

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C1=C(C=C(C=C1Cl)Cl)O

InChI

InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

InChIKey

VPOMSPZBQMDLTM-UHFFFAOYSA-N

LogP

2.699

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

87.1

Safety Information

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GHS Hazard Pictograms

H301

H311

H315

H319

H331

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H331 Toxic if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

D0365
DICHLOROPHENOL, 3,5-
3,5-Dichlorophenol 100 microg/mL in Methanol
3,5 dichlorophenol
3,5-Dichlorophenol, PESTANAL(R), analytical standard
FG32L88KO9
3,5-DICHLOROPHENOL
3,5-dichloro phenol
PS-3015
HSDB 4265
FT-0614567
NCGC00258485-01
NCGC00091417-01
Phenol, 3,5-dichloro-; 3,5-Dichlorophenol; NSC 60649
A8330
CS-W004113
3,5-Dichloro-phenol
NSC60649
Phenol, 3,5-dichloro-
3,5-Dichlorophenol 10 microg/mL in Methanol
AC-10840
InChI=1/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9
DTXSID2025006
EINECS 209-714-9
CHEMBL314566
AKOS000121538
NSC 60649
3,5-DICHLOROPHENOL [HSDB]
STR01646
NCGC00091417-03
NS00001542

MDL Number

MFCD00002259

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 3,5-Dichlorophenol (CAS: 591-35-5)?

3,5-Dichlorophenol (CAS: 591-35-5) is a white crystalline solid with a molecular weight of 168.01 g/mol. It has a pKa of approximately 8.5 and is slightly soluble in water. It is moderately reactive, particularly towards nucleophilic substitution reactions. This compound is commonly used in organic synthesis and as a precursor in the production of other chlorinated phenolic compounds.

How is 3,5-Dichlorophenol (CAS: 591-35-5) typically synthesized?

3,5-Dichlorophenol is typically synthesized through the chlorination of phenol. The reaction involves treating phenol with chlorine gas in the presence of a Lewis acid catalyst such as iron(III) chloride. The yield is generally high, and the selectivity towards 3,5-dichlorophenol is good. This method ensures a clean and efficient synthesis process.

What industries use 3,5-Dichlorophenol (CAS: 591-35-5)?

3,5-Dichlorophenol (CAS: 591-35-5) is used in various industries. It is a key precursor in the pharmaceutical industry for the synthesis of certain drugs. In the polymer industry, it serves as a stabilizer and antioxidant. It is also used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3,5-Dichlorophenol (CAS: 591-35-5)?

When handling 3,5-Dichlorophenol (CAS: 591-35-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using absorbent materials. In case of eye or skin contact, wash thoroughly with water and seek medical attention. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.