2,5-Dichloro-3-methylthiophene - ≥96%(GC) , CAS No.17249-90-0

CAS: 17249-90-0 Cat. No.: D155854 Molecular Weight: 167.05 EC Number: 623-690-0

GRADE & PURITY ≥96%(GC)

Synonyms

DS-2416 | 2,5-Dichloro-3-methylthiophene, 96% | GEO-00996 | MFCD00022490 | 2,5-Dichloro-3-methylthiophene | AKOS005254574 | SCHEMBL155079 | NSC109398 | NSC-109398 | SY036862 | D3680 | DTXSID20296448 | BUWSFDLUTRHPBO-UHFFFAOYSA-N | W-200163 | EN300-6766735

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DS-2416 | 2, 5-Dichloro-3-methylthiophene, 96% | GEO-00996 | MFCD00022490 | 2, 5-Dichloro-3-methylthiophene | AKOS005254574 | SCHEMBL155079 | NSC109398 | NSC-109398 | SY036862 | D3680 | DTXSID20296448 | BUWSFDLUTRHPBO-UHFFFAOYSA-N | W-200163 | EN300-6766735

Specifications & Purity

≥96%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥96%(GC)

Names and Identifiers

• Pubchem Sid: 504758234
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758234
• Canonical Smiles: CC1=C(SC(=C1)Cl)Cl
• IUPAC Name: 2,5-dichloro-3-methylthiophene
• InChIKey: BUWSFDLUTRHPBO-UHFFFAOYSA-N
• INCHI: 1S/C5H4Cl2S/c1-3-2-4(6)8-5(3)7/h2H,1H3
• Isomeric SMILES: CC1=C(SC(=C1)Cl)Cl
• WGK Germany: 3
• Molecular Weight: 167.05
• Reaxy-Rn: 108630
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108630&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass 2,3,5-trisubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: 2,3,5-trisubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,3,5-trisubstituted thiophenes
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,3,5-trisubstituted thiophene - Aryl halide - Aryl chloride - Heteroaromatic compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- 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: Heat Sensitive
• Refractive Index: 1.553
• Flash Point(°F): 168.8 °F
• Flash Point(°C): 77°C
• Boil Point(°C): 185°C
• Molecular Weight: 167.060 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• 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: 86.500
• 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