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608-93-5

608-93-5 Structure

608-93-5 Structure
IdentificationMore
[Name]

PENTACHLOROBENZENE
[CAS]

608-93-5
[Synonyms]

PENTACHLOROBENZENE
1,2,3,4,5-Pentachlorobenzene
pentachloro-benzen
QCB
Rcra waste number U183
rcrawastenumberu183
PENTACHLOROBENZENE 1000MG NEAT
PENTACHLOROBENZENE, 1X1ML, CH2CL2, 200UG /ML
PENTACHLORBENZOL PESTANAL
PENTACHLOROBENZENE 98+%
Benzene, pentachloro-
pentachlorobenzene solution
Pentachlorbenzol
PENTACHLOROBENEZENE
[EINECS(EC#)]

210-172-0
[Molecular Formula]

C6HCl5
[MDL Number]

MFCD00000539
[Molecular Weight]

250.34
[MOL File]

608-93-5.mol
Chemical PropertiesBack Directory
[Appearance]

Pentachlorobenzene is a colorless crystalline solid. Pleasant aroma.
[Melting point ]

84-87 °C (lit.)
[Boiling point ]

275-277 °C (lit.)
[density ]

1.609 g/mL at 25 °C(lit.)
[vapor pressure ]

6 x 10-3 mmHg at 20–30 °C (quoted, Mercer et al., 1990)
[refractive index ]

1.5522 (estimate)
[storage temp. ]

0-6°C
[solubility ]

Very soluble in ether (Sax and Lewis, 1987)
[form ]

neat
[color ]

White needles
[Water Solubility ]

1.332mg/L(25 ºC)
[BRN ]

1911550
[Henry's Law Constant]

5.14 at 25 °C (continuous flow sparger, Sproule et al., 1991)
[CAS DataBase Reference]

608-93-5(CAS DataBase Reference)
[EPA Substance Registry System]

Pentachlorobenzene (608-93-5)
Safety DataBack Directory
[Hazard Codes ]

F,Xn,N
[Risk Statements ]

R11:Highly Flammable.
R22:Harmful if swallowed.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R40:Limited evidence of a carcinogenic effect.
[Safety Statements ]

S41:In case of fire and/or explosion do not breathe fumes .
S46:If swallowed, seek medical advice immediately and show this container or label .
S50:Do not mix with ... (to be specified by the manufacturer) .
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 .
S36/37:Wear suitable protective clothing and gloves .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[RTECS ]

DA6640000
[Safety Profile]

Moderately toxic by ingestion. An experimental teratogen. When heated to decomposition it emits toxic fumes of Cl-. See also CHLORINATED HYDROCARBONS, AROMATIC
[Hazardous Substances Data]

608-93-5(Hazardous Substances Data)
[Toxicity]

LC50 (14-day) for guppy 178 ppb (Verschueren, 1983); acute oral LD50 for rats 1,080 mg/kg (RTECS, 1985)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrachlorophthalic acid
[Preparation Products]

Tetrachlorvinphos-->1,3,5-Trichlorobenzene-->2,2',3,3',4,5,5',6-OCTACHLOROBIPHENYL-->2,3,5,6-TETRACHLOROPHENOL-->2,2',3,4,4',5,6,6'-OCTACHLOROBIPHENYL-->2,2',3,3',4,4',5,5',6-NONACHLOROBIPHENYL-->Pentachlorophenol
Hazard InformationBack Directory
[General Description]

White crystals.
[Reactivity Profile]

PENTACHLOROBENZENE(608-93-5) is relatively unreactive. May be incompatible with strong oxidizing and reducing agents. Also may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
[Air & Water Reactions]

Insoluble in water.
[Potential Exposure]

Pentachlorobenzene is used primarily as a precursor in the synthesis of the fungicide pentachloronitrobenzene, and as a flame retardant. Drug/ Therapeutic Agent; Fungicide; bactericide; wood preservative; industrial Insecticides.
[Fire Hazard]

Flash point data for this compound are not available but PENTACHLOROBENZENE is probably non-flammable.
[First aid]

Skin Contact: Flood all areas of body that have contacted the substance with water. Don’t wait to remove contaminated clothing; do it under the water stream. Use soap to help assure removal. Isolate contaminated clothing when removed to prevent contact by others. Eye Contact: Remove any contact lenses at once. Flush eyes well with copious quantities of water or normal saline for at least 2030 minutes. Seek medical attention. Inhalation: Leave contaminated area immediately; breathe fresh air. Proper respiratory protection must be supplied to any rescuers. If coughing, difficult breathing or any other symptoms develop, seek medical attention at once, even if symptoms develop many hours after exposure. Ingestion: If convulsions are not present, give a glass or two of water or milk to dilute the substance. Assure that the person’s airway is unobstructed and contact a hospital or poison center immediately for advice on whether or not to induce vomiting.
[Shipping]

UN3077 Environmentally hazardous substances, solid, n.o.s., Hazard class: 9; Labels: 9-Miscellaneous hazardous material, Technical Name Required.
[Incompatibilities]

Polychlorinated hydrocarbons Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, aluminum, liquid oxygen; potassium, sodium.
[Chemical Properties]

Pentachlorobenzene is a colorless crystalline solid. Pleasant aroma.
[Waste Disposal]

Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal. Incineration after mixing with another combustible fuel. Care must be exercised to assure complete combustion to prevent the formation of phosgene. An acid scrubber is necessary to remove the halo acids produced.
[Uses]

Agrochemical researc
[Uses]

It was used to prepare tetrachlorobenzene by photolysis.
[Definition]

ChEBI: A member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by chlorines. Now classed as a persistent organic pollutant under the Stockholm Convention.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 38, p. 2928, 1973 DOI: 10.1021/jo00957a002
[Source]

Pentachlorobenzene may enter the environment from leaking dielectric fluids containing this compound. Pentachlorobenzene may be present as an undesirable by-product in the chemical manufacture of hexachlorobenzene, pentachloronitrobenzene, tetrachloroenzenes, tetrachloroethylene, trichloroethylene, and 1,2-dichloroethane (U.S. EPA, 1980).
[Environmental Fate]

Biological. In activated sludge, <0.1% mineralized to carbon dioxide after 5 days (Freitag et al., 1985). From the first-order biotic and abiotic rate constants of pentachlorobenzene in estuarine water and sediment/water systems, the estimated biodegradation half-lives were 4.6–6.5 and 6.0–7.6 days, respectively (Walker et al., 1988)
Photolytic. UV irradiation (λ = 2537 ?) of pentachlorobenzene in a hexane solution for 3 hours produced a 50% yield of 1,2,4,5-tetrachlorobenzene and a 13% yield of 1,2,3,5- tetrachlorobenzene (Crosby and Hamadmad, 1971). Irradiation (λ ≥285 nm)
A carbon dioxide yield of 2.0% was achieved when pentachlorobenzene adsorbed on silica gel was irradiated with light (λ >290 nm) for 17 hours (Freitag et al., 1985).
The experimental first-order decay rate for pentachlorobenzene in an aqueous solution containing a nonionic surfactant micelle (Brij 58, a polyoxyethylene cetyl ether) and illuminated by a photoreactor equipped with 253.7-nm monochromatic UV lamps, is 1.47 × 10–2/sec. The corresponding half-life is 47 seconds. Photoproducts reported include, all
tetra-, tri- and dichlorobenzenes, chlorobenzene, benzene, phenol, hydrogen and chloride ions (Chu and Jafvert, 1994)
Spectrum DetailBack Directory
[Spectrum Detail]

PENTACHLOROBENZENE(608-93-5)MS
PENTACHLOROBENZENE(608-93-5)1HNMR
PENTACHLOROBENZENE(608-93-5)13CNMR
PENTACHLOROBENZENE(608-93-5)IR1
PENTACHLOROBENZENE(608-93-5)IR2
PENTACHLOROBENZENE(608-93-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

608-93-5(sigmaaldrich)
[TCI AMERICA]

Pentachlorobenzene,>98.0%(GC)(608-93-5)
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