Tetrachlorothiophene - ≥99% , CAS No.6012-97-1

CAS: 6012-97-1 Cat. No.: T171136 Formula: C₄Cl₄S Peso molecolare: 221.92 Numero EC: 227-866-4 PubChem CID: 22344

GRADE & PURITY ≥99%

Synonyms

AI3-25764 | Thiophene, tetrachloro- | IF (fumigant) (VAN) | TETRACHLOROTHIOPHENE, 2,3,4,5- | Thiophene,3,4,5-tetrachloro- | NCGC00255751-01 | NSC61442 | NSC-61442 | 2,4,5-Tetrachlorothiophene | Q27293665 | BRN 0118374 | NSC44615 | BIDD:GT0655 | X82R7655J4

Storage

Room temperature

Shipped In

Normal

Panoramica

Application

Tetrachlorothiophene was used in the preparation of 3,4,5-trichloro-2-thiophenecarbonyl chloride.

Solvent for organic reactions and spectral use.

Specifications

Sinonimi

AI3-25764 | Thiophene, tetrachloro- | IF (fumigant) (VAN) | TETRACHLOROTHIOPHENE, 2,3,4,5- | Thiophene,3,4,5-tetrachloro- | NCGC00255751-01 | NSC61442 | NSC-61442 | 2,4,5-Tetrachlorothiophene | Q27293665 | BRN 0118374 | NSC44615 | BIDD:GT0655 | X82R7655J4

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488182757
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182757
• Sorrisi canonici: C1(=C(SC(=C1Cl)Cl)Cl)Cl
• IUPAC Name: 2,3,4,5-tetrachlorothiophene
• InChIKey: WZXXZHONLFRKGG-UHFFFAOYSA-N
• INCHI: 1S/C4Cl4S/c5-1-2(6)4(8)9-3(1)7
• Isomeri SMILES: C1(=C(SC(=C1Cl)Cl)Cl)Cl
• WGK Germania: 3
• RTECS: XN0350000
• PubChem CID: 22344
• Peso molecolare: 221.92

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Aryl halides
      • Subclass Aryl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Aryl halides
• Subclass: Aryl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl chlorides
• Alternative Parents: Thiophenes Heteroaromatic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl chloride - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Organochloride - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.591
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 75 °C/2 mmHg
• Punto di fusione (°C): 28-30 °C
• Peso molecolare: 221.900 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 221.845 Da
• Monoisotopic Mass: 219.847 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 96.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6012-97-1, the molecular formula is C4Cl4S, and the molecular weight is 221.92 g/mol. InChIKey WZXXZHONLFRKGG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.