ChemicalBook Product Catalog Analytical Chemistry Standard Volatile organic compounds (VOCs) 3,4,5-TRICHLOROPHENOL

3,4,5-TRICHLOROPHENOL

Product Name3,4,5-TRICHLOROPHENOL
CAS609-19-8
MFC6H3Cl3O
MW197.45
EINECS210-183-0
MOL File609-19-8.mol

Chemical Properties

Melting point	118-119℃
Boiling point	275℃
Density	1.5701 (rough estimate)
refractive index	1.5300 (estimate)
storage temp.	Inert atmosphere,Room Temperature
solubility	Chloroform (Slightly, Heated)
pka	pK1:7.839 (25°C)
Appearance	Light brown to brown Solid
Stability	Stable. Probably combustible. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides.
Major Application	environmental
InChI	InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKey	GBNHEBQXJVDXSW-UHFFFAOYSA-N
SMILES	C1(O)=CC(Cl)=C(Cl)C(Cl)=C1
EPA Substance Registry System	3,4,5-Trichlorophenol (609-19-8)

Safety Information

Hazard Codes	Xn,N
Risk Statements	20/21/22-36/37/38-50/53-41-37/38
Safety Statements	26-36-61-60
RIDADR	UN3077 9/PG 3
WGK Germany	3
RTECS	SN1650000
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Skin Irrit. 2 STOT SE 3
Hazardous Substances Data	609-19-8(Hazardous Substances Data)

Usage And Synthesis

Chemical Properties

off-white crystalline solid

Uses

3,4,5-Trichlorophenol is a chlorinated phenol found in fungus. It also has possible toxic effects.

General Description

Needles (from ligroin) or off-white solid.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

3,4,5-TRICHLOROPHENOL may be incompatible with acid chlorides, acid anhydrides and oxidizing agents. .

Fire Hazard

Flash point data for 3,4,5-TRICHLOROPHENOL are not available; however, 3,4,5-TRICHLOROPHENOL is probably combustible.

Synthesis

3,4,5-trichlorobenzenediazonium tetrafluoroborate

2106-38-9

609-19-8

3,4,5-Trichlorobenzenediazonium tetrafluoroborate (CAS: 2106-38-9, 9.62 g, 32.6 mmol, 1 eq.) was added to an aqueous solution (3.5 L) containing copper (II) nitrate trihydrate (450 g, 1.86 mol, 57 eq.) and copper(I) oxide (14.03 g, 98.1 mmol, 3 eq.) ) in water. The reaction mixture was stirred vigorously for 1 h at room temperature. After completion of the reaction, the solid was collected by filtration and washed with dichloromethane. The filtrate was extracted three times with dichloromethane, the organic phases were combined and dried with anhydrous magnesium sulfate. The dried organic phase was filtered and concentrated under reduced pressure to remove the solvent. The crude product was purified by silica gel column chromatography with the eluent being a solvent mixture of ethyl acetate/hexane ranging from 0 to 20%, resulting in 3,4,5-trichlorophenol as an orange-brown solid (3.199 g, 49% yield).1H NMR (CDCl3) δ 6.91 (s, 2H), 4.95 (br s, 1H).

Purification Methods

Crystallise the phenol from pet ether/*benzene mixture. [Beilstein 6 III 729.]

References

[1] Patent: WO2005/92835, 2005, A1. Location in patent: Page/Page column 38

Preparation Products And Raw materials

3,4,5-TRICHLOROPHENOL Supplier

3,4,5-TRICHLOROPHENOL manufacturers

Related Product Information

Send Inquriy