Tetrabromothiophene - ≥99% , CAS No.3958-03-0

CAS: 3958-03-0 Cat. No.: T101361 Summenformel: C₄Br₄S Molekulargewicht: 399.72 Beilstein Registry Number: 17(5)1,309 EG-Nummer: 223-554-7 PubChem CID: 77565

GRADE & PURITY ≥99%

Synonyms

(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid | FT-0635073 | NSC65427 | NSC-65427 | Thiophene, 2,3,4,5-tetrabromo- | Perbromothiophene | AKOS000282033 | NSC 65427 | Bilipurum | AC-4924 | SY048462 | 2,3,4,5-Tetrabromothiophene | 2,3,4,5-Tetrabromo-thioph

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid | FT-0635073 | NSC65427 | NSC-65427 | Thiophene, 2,3,4,5-tetrabromo- | Perbromothiophene | AKOS000282033 | NSC 65427 | Bilipurum | AC-4924 | SY048462 | 2,3,4,5-Tetrabromothiophene | 2,3,4,5-Tetrabromo-thioph

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 504755191
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755191
• Kanonisches Lächeln: C1(=C(SC(=C1Br)Br)Br)Br
• IUPAC Name: 2,3,4,5-tetrabromothiophene
• InChIKey: AVPWUAFYDNQGNZ-UHFFFAOYSA-N
• INCHI: 1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7
• Isomere SMILES: C1(=C(SC(=C1Br)Br)Br)Br
• WGK Deutschland: 3
• PubChem CID: 77565
• Molekulargewicht: 399.72
• Beilstein: 17(5)1,309
• Reaxy-Rn: 383664

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Saccharomyces cerevisiae (19171 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water. Soluble in organic solvents.
• Siedepunkt (°C): 173°C
• Schmelzpunkt (°C): 112-116°C
• Molekulargewicht: 399.730 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 399.641 Da
• Monoisotopic Mass: 395.645 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 96.700
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3958-03-0, the molecular formula is C4Br4S, and the molecular weight is 399.72 g/mol. InChIKey AVPWUAFYDNQGNZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.