3,4,5-Trichlorophenol

Basic Information

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CAS Number

609-19-8

Molecular Formula

C6H3Cl3O

Molecular Weight

197.45 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

118-119 ºC

Boiling Point

275 ºC

Density

1.596±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

123.9±25.9 ºC,

Refractive Index

1.5300 (estimate)

SMILES

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OC1=CC(Cl)=C(Cl)C(Cl)=C1

InChI

InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H

InChIKey

GBNHEBQXJVDXSW-UHFFFAOYSA-N

LogP

3.3524000000000003

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

108

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Stability

Stable. Probably combustible. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides.

Synonyms & References

English

3,4,5-Trichlorophenol
Phenol,3,4,5-trichloro-
3,4,5-Trichlorophenol1000µg
NSC 243667
Phenol, 3,4,5-trichloro-
2JF54EGE7O
3,4,5-tris(chloranyl)phenol
MLS002302993
GBNHEBQXJVDXSW-UHFFFAOYSA-N
SMR001307309
AK135672
3,5-Trichlorophenol
PubChem12939
3,4,5-trichlorphenol
DSSTox_CID_6212
WLN: QR CG DG EG
DSSTox_RID_78061
DSSTox_GSID_26212
cid_11859
GBNHEBQXJVDXSW-UHFFFAOYSA-
BDBM91350
HMS3039M04

MDL Number

MFCD00130143

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 3,4,5-Trichlorophenol (CAS: 609-19-8)?

3,4,5-Trichlorophenol is a white or nearly white crystalline solid with a molecular weight of approximately 216.04 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound shows limited reactivity, primarily undergoing substitution reactions. It is stable under normal conditions but can react with strong reducing agents.

How is 3,4,5-Trichlorophenol (CAS: 609-19-8) typically synthesized?

3,4,5-Trichlorophenol is typically synthesized by the chlorination of phenol in the presence of a Lewis acid catalyst, such as aluminum chloride. The reaction is carried out in an organic solvent, and it yields the target compound with reasonable selectivity and good yield under optimized conditions.

What industries use 3,4,5-Trichlorophenol (CAS: 609-19-8)?

3,4,5-Trichlorophenol finds applications in various industries, including pharmaceuticals, where it is used as an intermediate or for its antimicrobial properties. It is also utilized in the production of dyes and organic pigments, and as a precursor in the synthesis of other chlorinated phenols.

What precautions should be taken when handling 3,4,5-Trichlorophenol (CAS: 609-19-8)?

When handling 3,4,5-Trichlorophenol, safety goggles, gloves, and lab coats should be worn to protect against potential skin contact and inhalation. It should be stored in a cool, dry place away from heat and ignition sources. In case of a spill, it should be handled in a fume hood with appropriate absorbent materials, and the area should be well-ventilated. The Safety Data Sheet (SDS) should always be consulted for detailed handling and disposal instructions.