2-Chloro-5-(chloromethyl)thiophene - ≥97% , CAS No.23784-96-5

CAS: 23784-96-5 Cat. No.: C138537 Molecular Weight: 167.06 EC Number: 623-208-9

GRADE & PURITY ≥97%

Synonyms

2-Chloro-5-(chloromethyl)thiophene | 2-chloro-5-(chloromethyl)-thiophene | 5-chloro-2-thenyl chloride | Medozide | AC-9504 | 2-Chloro-5-chloromethylthiophene | 2-chloro-5-chloromethyl-thiophene | InChI=1/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H | F8880-3932 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-Chloro-5-(chloromethyl)thiophene | 2-chloro-5-(chloromethyl)-thiophene | 5-chloro-2-thenyl chloride | Medozide | AC-9504 | 2-Chloro-5-chloromethylthiophene | 2-chloro-5-chloromethyl-thiophene | InChI=1/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H, 3H | F8880-3932 |

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 528756874
• Canonical Smiles: C1=C(SC(=C1)Cl)CCl
• IUPAC Name: 2-chloro-5-(chloromethyl)thiophene
• InChIKey: MQTKXCOGYOYAMW-UHFFFAOYSA-N
• INCHI: 1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
• Isomeric SMILES: C1=C(SC(=C1)Cl)CCl
• WGK Germany: 3
• Molecular Weight: 167.06
• Reaxy-Rn: 111037
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111037&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Aryl halide - Aryl chloride - Heteroaromatic compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
• 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
• Refractive Index: 1.575
• Flash Point(°F): 213.8 °F
• Flash Point(°C): 101 °C
• Boil Point(°C): 83-85 °C/8 mmHg
• Molecular Weight: 167.060 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 165.941 Da
• Monoisotopic Mass: 165.941 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.800
• 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