Thiophene-3-carbonyl chloride - ≥95% , CAS No.41507-35-1

CAS: 41507-35-1 Cat. No.: T170244 Molecular Weight: 146.59 EC Number: 255-420-9 PubChem CID: 2776377

GRADE & PURITY ≥95%

Synonyms

AT17064 | HYDROCOTARNINEHYDROBROMIDE | 3-CHLOROCARBONYLTHIOPHENE | 3-Thenoyl chloride | BP-10038 | EPT4LKL45Z | MFCD00130090 | 3-thienylcarbonyl chloride | thiophene-3-carboxylic acid chloride | AMY28736 | 3-Thiophenecarboxylic acid chloride | AKOS0002814

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AT17064 | HYDROCOTARNINEHYDROBROMIDE | 3-CHLOROCARBONYLTHIOPHENE | 3-Thenoyl chloride | BP-10038 | EPT4LKL45Z | MFCD00130090 | 3-thienylcarbonyl chloride | thiophene-3-carboxylic acid chloride | AMY28736 | 3-Thiophenecarboxylic acid chloride | AKOS0002814

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488193697
• Canonical Smiles: C1=CSC=C1C(=O)Cl
• IUPAC Name: thiophene-3-carbonyl chloride
• InChIKey: QTWBEVAYYDZLQL-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClOS/c6-5(7)4-1-2-8-3-4/h1-3H
• Isomeric SMILES: C1=CSC=C1C(=O)Cl
• WGK Germany: 3
• PubChem CID: 2776377
• Molecular Weight: 146.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxylic acid or derivatives - Heteroaromatic compound - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Flash Point(°F): 123.8 °F
• Flash Point(°C): 51 °C
• Melt Point(°C): 51-54 °C
• Molecular Weight: 146.600 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.959 Da
• Monoisotopic Mass: 145.959 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 105.000
• 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