2-Bromo-4-hydroxymethylthiazole - ≥97% , CAS No.5198-86-7

CAS: 5198-86-7 Cat. No.: B170760 Summenformel: C₄H₄BrNOS Molekulargewicht: 194.05 EG-Nummer: 672-919-0

GRADE & PURITY ≥97%

Synonyms

FT-0602103 | DTXSID40376812 | AKOS006346490 | 2-Bromo-4-(hydroxymethyl)-1,3-thiazole | 2-bromo-4-(hydroxymethyl)thiazole | 2-Bromothiazole-4-methanol | A828875 | SCHEMBL285706 | SY060378 | 2-Bromo-4-hydroxymethylthiazole | AM20100279 | (2-bromothiazol-4-y

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FT-0602103 | DTXSID40376812 | AKOS006346490 | 2-Bromo-4-(hydroxymethyl)-1,3-thiazole | 2-bromo-4-(hydroxymethyl)thiazole | 2-Bromothiazole-4-methanol | A828875 | SCHEMBL285706 | SY060378 | 2-Bromo-4-hydroxymethylthiazole | AM20100279 | (2-bromothiazol-4-y

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488193345
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193345
• Kanonisches Lächeln: C1=C(N=C(S1)Br)CO
• IUPAC Name: (2-bromo-1,3-thiazol-4-yl)methanol
• InChIKey: FRPHIGOLOLSXAI-UHFFFAOYSA-N
• INCHI: 1S/C4H4BrNOS/c5-4-6-3(1-7)2-8-4/h2,7H,1H2
• Isomere SMILES: C1=C(N=C(S1)Br)CO
• Molekulargewicht: 194.05
• Reaxy-Rn: 1099720
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099720&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 194.050 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.92 Da
• Monoisotopic Mass: 192.92 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.400
• 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 ≥97% 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 5198-86-7, the molecular formula is C4H4BrNOS, and the molecular weight is 194.05 g/mol. InChIKey FRPHIGOLOLSXAI-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.