4-Bromo-2-phenoxythiazole - ≥98% , CAS No.1065074-43-2

CAS: 1065074-43-2 Cat. No.: B179093 Formule: C₉H₆BrNOS Poids moléculaire: 256.1

GRADE & PURITY ≥98%

Synonyms

1065074-43-2 | SCHEMBL6122699 | 4-BROMO-2-PHENOXYTHIAZOLE | A895803 | 4-bromo-2-phenoxy-1,3-thiazole | YJESUUGBCWVUTC-UHFFFAOYSA-N | DTXSID80674647 | BS-26000 | MFCD11053888 | AKOS015834987

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1065074-43-2 | SCHEMBL6122699 | 4-BROMO-2-PHENOXYTHIAZOLE | A895803 | 4-bromo-2-phenoxy-1,3-thiazole | YJESUUGBCWVUTC-UHFFFAOYSA-N | DTXSID80674647 | BS-26000 | MFCD11053888 | AKOS015834987

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1=CC=C(C=C1)OC2=NC(=CS2)Br
• IUPAC Name: 4-bromo-2-phenoxy-1,3-thiazole
• InChIKey: YJESUUGBCWVUTC-UHFFFAOYSA-N
• INCHI: 1S/C9H6BrNOS/c10-8-6-13-9(11-8)12-7-4-2-1-3-5-7/h1-6H
• Isomères SMILES: C1=CC=C(C=C1)OC2=NC(=CS2)Br
• Poids moléculaire: 256.1
• Reaxy-Rn: 22499152
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22499152&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Phenoxy compounds Phenol ethers 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 256.120 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 254.935 Da
• Monoisotopic Mass: 254.935 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 164.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% 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 1065074-43-2, the molecular formula is C9H6BrNOS, and the molecular weight is 256.1 g/mol. InChIKey YJESUUGBCWVUTC-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.