3-Chlorothiophene - ≥97% , CAS No.17249-80-8

CAS: 17249-80-8 Cat. No.: C101614 Summenformel: C₄H₃ClS Molekulargewicht: 118.58 EG-Nummer: 605-636-8

GRADE & PURITY ≥97%

Synonyms

STR01650 | 3-Thienyl Chloride | Thiophene, 3-chloro- | 3-Chlorothiophene | 3-chloro-thiophene | AKOS006220722 | C1192 | InChI=1/C4H3ClS/c5-4-1-2-6-3-4/h1-3 | FT-0615535 | J-512346 | A811420 | PS-3135 | AC-4914 | 3-Chlorothiophene, 98% | 3-chloranylthiophe

Storage

Room temperature

Shipped In

Normal

Übersicht

Product Introduction

Electrochemical homopolymerization of 3-chlorothiophene and copolymerization with 3-methylthiophene in ionic liquid has been investigated by potentiodynamic and galvanostat methods

Application

3-Chlorothiophene was used in the synthesis of poly(3-chlorothiophene) films by direct oxidation in mixed electrolytes of boron trifluoride diethyl etherate and trifluroacetic acid.

Specifications

Synonyme

STR01650 | 3-Thienyl Chloride | Thiophene, 3-chloro- | 3-Chlorothiophene | 3-chloro-thiophene | AKOS006220722 | C1192 | InChI=1/C4H3ClS/c5-4-1-2-6-3-4/h1-3 | FT-0615535 | J-512346 | A811420 | PS-3135 | AC-4914 | 3-Chlorothiophene, 98% | 3-chloranylthiophe

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488186388
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186388
• Kanonisches Lächeln: C1=CSC=C1Cl
• IUPAC Name: 3-chlorothiophene
• InChIKey: QUBJDMPBDURTJT-UHFFFAOYSA-N
• INCHI: 1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3H
• Isomere SMILES: C1=CSC=C1Cl
• UN-Nummer: 1993
• Molekulargewicht: 118.58
• Reaxy-Rn: 105255
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105255&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Brechungsindex: 1.553
• Flammpunkt (°F): 98.6 °F
• Flammpunkt (°C): 37 °C
• Siedepunkt (°C): 137-139°C
• Molekulargewicht: 118.590 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 117.964 Da
• Monoisotopic Mass: 117.964 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• 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

Referenzen

1. Xufeng Xiao, Kai Chen, Mi Qin, Xiaoyu Li, Ranjun Meng, Xiaoru Wang, Yang Zhou, Anyi Mei, Hongwei Han.  (2025)  Alkyl chain length engineering of zwitterionic sulfobetaine passivators for efficient printable mesoscopic perovskite solar cells.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163528]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 17249-80-8, the molecular formula is C4H3ClS, and the molecular weight is 118.58 g/mol. InChIKey QUBJDMPBDURTJT-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.