2,3,5-Tribromo-4-methylthiophene - ≥95%(GC) , CAS No.67869-13-0

CAS: 67869-13-0 Cat. No.: T134530 Molecular Weight: 334.85 Beilstein Registry Number: 17(5)1,334 EC Number: 267-441-0 PubChem CID: 3017801

GRADE & PURITY ≥95%(GC)

Synonyms

Thiophene, 2,3,5-tribromo-4-methyl- | C5H3Br3S | FT-0609444 | 3-methyl-2,4,5-tribromothiophene | PS-10950 | InChI=1/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3 | EN300-138785 | AKOS015951102 | Thiophene,2,3,5-tribromo-4-methyl- | T1682 | DTLNXOZXOZCNMX-UHFFFAOYSA-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Thiophene, 2, 3, 5-tribromo-4-methyl- | C5H3Br3S | FT-0609444 | 3-methyl-2, 4, 5-tribromothiophene | PS-10950 | InChI=1/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3 | EN300-138785 | AKOS015951102 | Thiophene, 2, 3, 5-tribromo-4-methyl- | T1682 | DTLNXOZXOZCNMX-UHFFFAOYSA-

Specifications & Purity

≥95%(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

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504762318
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762318
• Canonical Smiles: CC1=C(SC(=C1Br)Br)Br
• IUPAC Name: 2,3,5-tribromo-4-methylthiophene
• InChIKey: DTLNXOZXOZCNMX-UHFFFAOYSA-N
• INCHI: 1S/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3
• Isomeric SMILES: CC1=C(SC(=C1Br)Br)Br
• PubChem CID: 3017801
• Molecular Weight: 334.85
• Beilstein: 17(5)1,334
• Reaxy-Rn: 113837

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Aryl halides
• Subclass: Aryl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl bromides
• Alternative Parents: Thiophenes Heteroaromatic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Organobromide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide 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

Chemical and Physical Properties

• Sensitivity: Heat & Light sensitive
• Melt Point(°C): 31 °C
• Molecular Weight: 334.860 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 333.749 Da
• Monoisotopic Mass: 331.751 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 108.000
• 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