ChemicalBook CAS DataBase List 88-06-2

88-06-2

Name	2,4,6-Trichlorophenol
CAS	88-06-2
EINECS(EC#)	201-795-9
Molecular Formula	C6H3Cl3O
MDL Number	MFCD00002172
Molecular Weight	197.45
MOL File	88-06-2.mol

Chemical Properties

Appearance	Yellow flakes; strong phenolic odor. Soluble in acetone, alcohol, and ether; insoluble in water. Nonflammable.
Melting point	64-66 °C(lit.)
Boiling point	246 °C(lit.)
density	1.49
vapor pressure	1 mm Hg ( 76.5 °C)
refractive index	1.5300 (estimate)
Fp	99 °C
storage temp.	0-6°C
solubility	0.8g/l
form	Crystalline Mass or Crystalline Powder and Chunks
pka	6.15 (Leuenberger et al., 1985) 6.10 (Blackman et al., 1955) 6.0 (Eder and Weber, 1980)
color	white to slightly brown
Water Solubility	0.8 g/L
Merck	14,9644
BRN	776729
Henry's Law Constant	9.07 at 25 °C (estimated, Leuenberger et al., 1985a)
InChI	1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey	LINPIYWFGCPVIE-UHFFFAOYSA-N
SMILES	Oc1c(Cl)cc(Cl)cc1Cl
Uses	Fungicide, herbicide, defoliant. less more
CAS DataBase Reference	88-06-2(CAS DataBase Reference)
IARC	2B (Vol. 117) 2019
NIST Chemistry Reference	Phenol, 2,4,6-trichloro-(88-06-2)
EPA Substance Registry System	88-06-2(EPA Substance)

Safety Data

Symbol(GHS)	GHS07,GHS08,GHS09
Signal word	Warning
Hazard statements	H302-H315-H319-H351-H410
Precautionary statements	P201-P273-P301+P312-P302+P352-P305+P351+P338-P308+P313
Hazard Codes	Xn,N,T,F
Risk Statements	R22:Harmful if swallowed. R36/38:Irritating to eyes and skin . R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R40:Limited evidence of a carcinogenic effect. R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed . R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R11:Highly Flammable. less more
Safety Statements	S36/37:Wear suitable protective clothing and gloves . S60:This material and/or its container must be disposed of as hazardous waste . S61:Avoid release to the environment. Refer to special instructions safety data sheet . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S16:Keep away from sources of ignition-No smoking . less more
RIDADR	UN 3077 9/PG 3
WGK Germany	3
RTECS	SN1575000
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29081000
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Carc. 2 Eye Dam. 1 Skin Irrit. 2
Safety Profile	Confirmed carcinogen with experimental carcinogenic data. Poison by intraperitoneal route. Moderately toxic by ingestion and skin contact. A skin and severe eye irritant. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl-. Used as a germicide and preservative. See also CHLOROPHENOLS. less more
Hazardous Substances Data	88-06-2(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 887 mg/kg less more

Raw materials And Preparation Products

Hazard Information

General Description

Yellow to pinkish-orange needles or orange fluffy solid. Strong phenolic odor.

Reactivity Profile

2,4,6-TRICHLOROPHENOL(88-06-2) is incompatible with acid chlorides, acid anhydrides and oxidizing agents. 2,4,6-TRICHLOROPHENOL(88-06-2) can be converted to the sodium salt by reaction with sodium carbonate. Forms ethers, esters and salts by reaction with metals and amines. Undergoes substitution reactions such as nitration, alkylation, acetylation and halogenation. Can be hydrolyzed by reaction with bases at elevated temperatures and pressures. Reacts with alkalis at high temperatures .

Air & Water Reactions

Insoluble in water.

Fire Hazard

Literature sources indicate that this chemical is nonflammable.

Chemical Properties

Yellow flakes; strong phenolic odor. Soluble in acetone, alcohol, and ether; insoluble in water. Nonflammable.

Physical properties

Colorless needles or yellow solid with a strong, phenolic, musty or rotten vegetable-type odor. At 40 °C, the lowest concentration at which an odor was detected was 380 μg/L. At 25 °C, the lowest concentration at which a taste was detected was >12 μg/L (Young et al., 1996).

Definition

ChEBI: A trichlorophenol with phenolic substituents on positions 2, 4 and 6.

Synthesis Reference(s)

The Journal of Organic Chemistry, 24, p. 1523, 1959 DOI: 10.1021/jo01092a034

Health Hazard

In experimental animals, 2,4,6- trichlorophenol causes toxic effects to the liver and hematologic system and cancer. There is no reliable information regarding exposure and toxic effects in humans.

Carcinogenicity

2,4,6-Trichlorophenol is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.

Environmental Fate

Biological. In activated sludge, only 0.3% mineralized to carbon dioxide after 5 d (Freitag et al., 1985). In anaerobic sludge, 2,4,6-trichlorophenol degraded to 4-chlorophenol (Mikesell and Boyd, 1985). When 2,4,6-trichlorophenol was statically incubated in the dark at 25 °C with yeast extract and settled domestic wastewater inoculum, significant biodegradation with rapid adaptation was observed. At concentrations of 5 and 10 mg/L, 96 and 97% biodegradation, respectively, were observed after 7 d (Tabak et al., 1981).
Photolytic. Titanium dioxide suspended in an aqueous solution and irradiated with UV light (λ = 365 nm) converted 2,4,6-trinitrophenol to carbon dioxide at a significant rate (Matthews, 1986). A carbon dioxide yield of 65.8% was achieved when 2,4,6-trichlorophenol adsorbed on silica gel was irradiated with light (λ >290 nm) for 17 h (Freitag et al., 1985).
Chemical/Physical. An aqueous solution containing chloramine reacted with 2,4,6-trichlorophenol to yield the following intermediate products after 2 h at 25 °C: 2,6-dichloro-1,4- benzoquinone-4-(N-chloro)imine and 4,6-dichloro-1,2-benzoquinone-2-(N-chloro)imine (Maeda et al., 1987).

Purification Methods

Crystallise the phenol from *benzene, EtOH or EtOH/water. [Beilstein 6 IV 1005.]

Toxics Screening Level

The IRSL for 2, 4, 6-trichlorophenol is 0.3 μg/m3 based on an annual averaging time.

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

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88-06-2

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Preparation Products

Hazard Information

General Description

Reactivity Profile

Air & Water Reactions

Fire Hazard

Chemical Properties

Physical properties

Definition

Synthesis Reference(s)

Health Hazard

Carcinogenicity

Environmental Fate

Purification Methods

Toxics Screening Level

Material Safety Data Sheet(MSDS)

Questions And Answer

Description

Health Effects

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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