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

CAS: 67869-13-0 Cat. No.: T134530 Peso molecular: 334.85 Beilstein Registry Number: 17(5)1,334 Número EC: 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

Sinónimos

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-

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504762318
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762318
• Sonrisas canónicas: 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
• Isómeros SMILES: CC1=C(SC(=C1Br)Br)Br
• PubChem CID: 3017801
• Peso molecular: 334.85
• Beilstein: 17(5)1,334
• Reaxy-Rn: 113837

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Heat & Light sensitive
• Punto de fusión (°C): 31 °C
• Peso molecular: 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