ChemicalBook--->CAS DataBase List--->95-94-3

95-94-3

95-94-3 Structure

95-94-3 Structure
IdentificationMore
[Name]

1,2,4,5-Tetrachlorobenzene
[CAS]

95-94-3
[Synonyms]

1,2,4,5-TETRACHLOROBENZENE
1,2,4,5-tcb
1,2,4,5-tetrachlorbenzol
1,2,4,5-tetrachloro-benzen
benzene,1,2,4,5-tetrachloro-
benzenetetrachloride
I,2,4,5-Tetrachlorbenzol
Rcra waste number U207
rcrawastenumberu207
s-Tetrachlorobenzene
Melting point 140.0 to 143.0 deg-C
Purity(GC) min. 99.0 %
1,2,4,5-Tetrachlorobenzne
1,2,4,5-TETRACHLOROBENZENE, 1X1ML, ACN 1 000UG/ML
1,2,4,5-TETRACHLOROBENZENE, 1000MG, NEAT
1,2,4,5-TETRACHLOROBENZENE PESTANAL,250
1,2,4,5-Tetrachlorobenzene,98%
1,2,4,5-tetrachlorobenzene solution
ethenyl trichloride
TETRACHLOROBENZOL
[EINECS(EC#)]

202-466-2
[Molecular Formula]

C6H2Cl4
[MDL Number]

MFCD00000549
[Molecular Weight]

215.89
[MOL File]

95-94-3.mol
Chemical PropertiesBack Directory
[Appearance]

white solid
[Melting point ]

139 °C
[Boiling point ]

240-246 °C(lit.)
[density ]

1.858
[vapor pressure ]

5 at 25 °C (extrapolated, Mackay et al., 1982)
[refractive index ]

1.5348 (estimate)
[Fp ]

>230 °F
[storage temp. ]

0-6°C
[solubility ]

0.0003g/l
[form ]

Crystalline Solid
[color ]

Light pink to gray
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents. Reacts explosively with alkaline methanol solutions.
[Water Solubility ]

insoluble. <0.1 g/100 mL at 21 ºC
[BRN ]

1618315
[Henry's Law Constant]

0.10 at 20 °C (gas stripping-GC, Oliver, 1985)
[InChI]

1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
[InChIKey]

JHBKHLUZVFWLAG-UHFFFAOYSA-N
[SMILES]

Clc1cc(Cl)c(Cl)cc1Cl
[Uses]

Intermediate for herbicides and defoliants, insecticide, impregnant for moisture resistance, electrical insulation.
[CAS DataBase Reference]

95-94-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1,2,4,5-tetrachloro-(95-94-3)
[EPA Substance Registry System]

95-94-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,T,F
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[RTECS ]

DB9450000
[TSCA ]

Yes
[HazardClass ]

9
[HS Code ]

29036990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
[Hazardous Substances Data]

95-94-3(Hazardous Substances Data)
[Toxicity]

Acute oral LD50 for rats 1,500 mg/kg, mice 1,035 mg/kg (quoted, RTECS, 1985).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Pentachlorobenzene-->1,2,3,5-Tetrachlorobenzene-->Benzene,1,4-dibromo-2,3,5,6-tetrachloro-
[Preparation Products]

2,4,5-Trichlorophenol-->2-(2,4,5-Trichlorophenoxy)propionic acid-->2,3,4,5,6-Pentafluorophenylacetic acid-->2,4,5-Trichlorobenzoic acid-->1,2,4,5-Tetrakis(tert-butylthio)benzene-->1,2,4,5-tetraphenylbenzene-->2,4,5-Trichlorobiphenyl-->1,2,4,5-Benzenetetrathiol-->4H,4'H-Octafluorobiphenyl-->2,3,5,6-Tetrachlorophenol-->1,2,4-Triphenylbenzene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,2,4,5-Tetrachlorobenzene (95-94-3).msds
Hazard InformationBack Directory
[Chemical Properties]

white solid
[Definition]

ChEBI: A tetrachlorobenzene carrying chloro groups at positions 1, 2, 4 and 5.
[Environmental Fate]

Biological. A mixed culture of soil bacteria or a Pseudomonas sp. transformed 1,2,4,5- tetrachlorobenzene to 2,3,5,6-tetrachlorophenol (Ballschiter and Scholz, 1980). After incubation in sewage sludge for 32 d under anaerobic conditions, 1,2,4,5-tetrachlorobenzene did not biodegrade (Kirk et al., 1989).
In an enrichment culture derived from a contaminated site in Bayou d’Inde, LA, 1,2,4,5- tetrachlorobenzene underwent reductive dechlorination to 1,2,4-trichlorobenzene. The maximum dechlorination rate, based on the recommended Michaelis-Menten model, was 5.5 nM/d (Pavlostathis and Prytula, 2000).
Photolytic. Irradiation (λ ≥285 nm) of 1,2,4,5-tetrachlorobenzene (1.1–1.2 mM/L) in an acetonitrile-water mixture containing acetone (0.553 mM) as a sensitizer gave the following products (% yield): 1,2,4-trichlorobenzene (25.3), 1,3-dichlorobenzene (8.1), 1,4-dichlorobenzene (3.6), 2,2′,3,4′,5,5′,6-heptachlorobiphenyl (4.19), four hexachlorobiphenyls (6.78), four pentachlorobiphenyls (2.33), one tetrachlorobiphenyl (0.32), 2,4,5-trichloroacetophenone, and (2,4,5- trichlorophenyl)acetonitrile (Choudhry and Hutzinger, 1984). Without acetone, the identified photolysis products (% yield) included 1,2,4-trichlorobenzene (27.7), 1,3-dichlorobenzene (0.3), 1,4-dichlorobenzene (8.5), pentachlorobenzene (trace), 1,2,3,4-tetrachlorobenzene (0.45), 1,2,3,5- tetrachlorobenzene (1.11), 2,2′,3,4′,5,5′,6-heptahlorobiphenyl (1.24), three hexachlorobiphenyls (1.19), and four pentachlorobiphenyls (0.56) (Choudhry and Hutzinger, 1984). The sunlight irradiation of 1,2,4,5-tetrachlorobenzene (20 g) in a 100-mL borosilicate glass-stoppered Erlenmeyer flask for 28 d yielded 26 ppm heptachlorobiphenyl (Uyeta et al., 1976).
Chemical/Physical. Based on an assumed base-mediated 1% disappearance after 16 d at 85 °C and pH 9.70 (pH 11.26 at °C), the hydrolysis half-life was estimated to be >900 yr (Ellington et al., 1988).
[Purification Methods]

Crystallise it from EtOH, ether, *benzene, *benzene/EtOH or carbon disulfide. [Beilstein 5 IV 668.]
[Toxics Screening Level]

The current initial threshold screening level (ITSL) for 1,2,4,5-tetrachlorobenzene is 1 μg/m3 based on an annual averaging time.
Spectrum DetailBack Directory
[Spectrum Detail]

1,2,4,5-Tetrachlorobenzene(95-94-3)MS
1,2,4,5-Tetrachlorobenzene(95-94-3)1HNMR
1,2,4,5-Tetrachlorobenzene(95-94-3)13CNMR
1,2,4,5-Tetrachlorobenzene(95-94-3)IR1
1,2,4,5-Tetrachlorobenzene(95-94-3)IR2
1,2,4,5-Tetrachlorobenzene(95-94-3)IR3
1,2,4,5-Tetrachlorobenzene(95-94-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,2,4,5-Tetrachlorobenzene, 98%(95-94-3)
[Alfa Aesar]

1,2,4,5-Tetrachlorobenzene, 98%(95-94-3)
[Sigma Aldrich]

95-94-3(sigmaaldrich)
[TCI AMERICA]

1,2,4,5-Tetrachlorobenzene,>99.0%(GC)(95-94-3)
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