4-(4-Bromophenyl)-2-hydroxythiazole - ≥96% , CAS No.3884-34-2

CAS: 3884-34-2 Cat. No.: B468151 Peso molecular: 256.12 Número EC: 623-786-2

GRADE & PURITY ≥96%

Synonyms

4-(4-bromophenyl)-2-hydroxythiazole | 4-(4-Bromophenyl)-2-hydroxy-thiazole | SCHEMBL16414580 | EN300-1723919 | 4-(4-bromophenyl)thiazol-2-ol | FT-0635048 | MFCD02250971 | 4-(4-Bromophenyl)-2-hydroxythiazole, 96% | 4-(4-bromophenyl)-3H-1,3-thiazol-2-one |

Storage

Room temperature

Specifications

Sinónimos

4-(4-bromophenyl)-2-hydroxythiazole | 4-(4-Bromophenyl)-2-hydroxy-thiazole | SCHEMBL16414580 | EN300-1723919 | 4-(4-bromophenyl)thiazol-2-ol | FT-0635048 | MFCD02250971 | 4-(4-Bromophenyl)-2-hydroxythiazole, 96% | 4-(4-bromophenyl)-3H-1, 3-thiazol-2-one |

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488193202
• Sonrisas canónicas: C1=CC(=CC=C1C2=CSC(=O)N2)Br
• IUPAC Name: 4-(4-bromophenyl)-3H-1,3-thiazol-2-one
• InChIKey: DEOWCFMGCQNWDK-UHFFFAOYSA-N
• INCHI: 1S/C9H6BrNOS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
• Isómeros SMILES: C1=CC(=CC=C1C2=CSC(=O)N2)Br
• Peso molecular: 256.12
• Reaxy-Rn: 153634
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=153634&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl bromide - Aryl halide - Azole - Thiazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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: moisture sensitive
• Punto de fusión (°C): 249-253 °C
• Peso molecular: 256.120 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 254.935 Da
• Monoisotopic Mass: 254.935 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 246.000
• 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