6012-97-1

Basic information

• Product Name: TETRACHLOROTHIOPHENE
• Synonyms: 2,3,4,5-Chlorothiophene;2,3,4,5-tetrachloro-thiophen;2,3,4,5-Tetrachlorothiophene;2,3,4,5-tetrachloro-thiophene;cp30487;ENT 25,764;ent25,764;IF (Fumigant)
• CAS NO: 6012-97-1
• Molecular Formula: C₄Cl₄S
• Molecular Weight: 221.92
• EINECS: 227-866-4
• Product Categories: Thiophenes;Thiophene&Benzothiophene;Halogenated Heterocycles;Heterocyclic Building Blocks;ThiophenesBuilding Blocks;Building Blocks;C4 to C6;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks
• Mol File: 6012-97-1.mol
• Article Data: 9

Chemical Properties

• Melting Point: 28-30 °C(lit.)
• Boiling Point: 75 °C2 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /solid
• Density: 1.704 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0853mmHg at 25°C
• Refractive Index: n20/D 1.591(lit.)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• CAS DataBase Reference: TETRACHLOROTHIOPHENE(CAS DataBase Reference)
• NIST Chemistry Reference: TETRACHLOROTHIOPHENE(6012-97-1)
• EPA Substance Registry System: TETRACHLOROTHIOPHENE(6012-97-1)

Safety Data

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 26-28-36/37/39-45
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• RTECS: XN0350000
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 6012-97-1(Hazardous Substances Data)

Usage

Description

Tetrachlorothiophene is a white to light yellow crystal powder that is primarily known for its use as a solvent in various organic reactions and for spectral purposes. Its chemical properties make it a valuable compound in the field of chemistry.

Uses

Used in Organic Chemistry:
Tetrachlorothiophene is used as a solvent for organic reactions due to its ability to dissolve a wide range of organic compounds, facilitating various chemical processes.
Used in Spectral Analysis:
Tetrachlorothiophene is also utilized in spectral analysis, where it serves as a solvent to help in the study of the structure and properties of molecules through their interaction with electromagnetic radiation.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Tetrachlorothiophene was used in the preparation of 3,4,5-trichloro-2-thiophenecarbonyl chloride, which is an important intermediate in the synthesis of certain pharmaceutical compounds.

Safety Profile

Poison by ingestion, skin contact, intravenous, and intraperitoneal routes. Moderately toxic by inhalation. Combustible when exposed to heat or flame. When heated to decomposition it emits very toxic fumes of Cland SOx.

InChI:InChI=1/C4Cl4S/c5-1-2(6)4(8)9-3(1)7

Upstream product

• 1003-09-4 2-bromothiophene 
• 3141-27-3 2,5-dibromothiophen 
• 498-66-8 norbornene 
• 106550-55-4 bis(methoxycarbonyl)-(2,3,4,5-tetrachlorothiophenio)-methylide 
• 87-68-3 Hexachlorobutadiene 
• 3172-52-9 2,5-diclorothiophene 
• 188290-36-0 thiophene 
• 90454-51-6 N-phenoxycarbonyl-(2,3,4,5-tetrachloro-1-thiophenio)amide 
• 90454-50-5 N-ethoxycarbonyl-(2,3,4,5-tetrachloro-1-thiophenio)amide 
• 61351-34-6 pentachloro-2-nitro-1,3-butadiene 
• 110-82-7 cyclohexane 
• 127-18-4 1,1,2,2-tetrachloroethylene 
• 17249-78-4 2,3,4-trichlorothiophene 
• 18614-14-7 hexachloro-2,5-dihydro-thiophene 

Downstream Products

• 148273-31-8 1-(3,4,5-trichloro-2-thienyl)-3-phenyl-2-propen-1-ol 
• 90454-52-7 2,3,4,5-tetrachloro-1-thiophenio-N-(p-tolylsulphonyl)amide 
• 59-49-4 2-Benzoxazolinone 
• 90454-51-6 N-phenoxycarbonyl-(2,3,4,5-tetrachloro-1-thiophenio)amide 
• 118012-97-8 1-(3,4,5-trichlorothien-2-yl)-(1R,2S,5R)-menthol 
• 113318-90-4 (2,3,4,5-Tetrachloro-1λ⁴-thiophen-1-ylidene)-carbamic acid cyclohexyl ester 
• 117130-95-7 2-methyl-3-(p-tolylsulfonyl)-5,6,7,8-tetrachloro-1,4-oxathiocine 
• 148273-27-2 phenyl(3,4,5-trichlorothiophen-2-yl)methanol 
• 72448-17-0 2,3,4,5-tetrachlorothiophene-1,1-dioxide 
• 72524-62-0 2,3,3a,4,5,6,7,7a-octachloro-3a,7a-dihydrobenzothiophene 
• 6579-01-7 Dichlormaleinsaeure-thioanhydrid 
• 81730-18-9 methyl 3,4,5-trichloro-2-thiophenecarboxylate 
• 434-41-3 2-chloro-heptafluoro-2-butene 
• 26020-48-4 3,4,5-trichlorothiophene-2-carboxylic acid 

Relevant articles and documents

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Octachloroazulene

The title compound, the first perhaloazulene, has been synthesized from hexachlorobutadiene and cyclopentadiene. Further chlorination of 1,3,4,5,6,7-hexachloroazulene results in addition, rot substitution, under electrophilic as well as free radical conditions. Radical chlorination of the hexachloro-azulene affords in good yield a single decachlorotetrahydroazulene. Treatment of this Cl10 compound with one equiv of a phosphazene base gives a nonachlorodihydroazulene, but the addition of a second equiv results in dechlorination to 1,2,3,4,5,6,7-heptachloroazulene as well as dehydrochlorination to octachloro-azulene. The former azulene is obtained cleanly from the Cl9 compound with acid catalysis or by reduction with mercury. In the presence of calcium carbonate, however, the Cl9 intermediate yields the dark green octachloroazulene. Although octachloronaphthalene is readily converted into its octafluoro counterpart, the isomeric octachloroazulene is far too sensitive to undergo the analogous transformation.

Halogenation Using Quaternary Ammonium Polyhalides. XXXI. Halogenation of Thiophene Derivatives with Benzyltrimethylammonium Polyhalides

The reactions of thiophene derivatives with benzyltrimethylammonium tetrachloroiodate, benzyltrimethylammonium tribromide, and benzyltrimethylammonium dichloroiodate in acetic acid or in acetic acid-zinc chloride under mild conditions gave chloro-, bromo-, and iodo-substituted thiophene derivatives, respectively, in satifactory yields.

USEFUL NEW METHOD FOR PREPARATION OF PERCHLOROTHIOPHENE (RESEARCH IN THE FIELD OF CHLORINATION OF ORGANIC COMPOUNDS AND CONVERSION OF CHLORO DERIVATIVES).

A new method for preparation of perchlorothiophene is proposed. The advantages of the method as compared to the other methods are: absence of toxic compounds like sulfur chlorides and easy isolation of the required product: chlorination of monovinylacetylene to 1,1,2,2,3,4-hexachlorobutane. Dehydrochlorination of the hexachlorobutane to 1,1,2,3,-tetrachloro-1,3-butadiene. The yield is 98. 2%. Reaction of 1,1,2,3-tetrachloro-1,3-butadiene with elemental sulfur to give 3,4,5-trichlorothiophene. Conversion of trichlorothiophene into perchlorothiophene by chlorination with gaseous chlorine. The experimental procedure is given.