4-Bromo-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole - ≥95% , CAS No.1040377-02-3

CAS: 1040377-02-3 Cat. No.: B586227 Peso molecular: 231.09 Número EC: 864-933-2

GRADE & PURITY ≥95%

Synonyms

4-bromo-1-(oxan-4-yl)pyrazole | SY229819 | 4-BROMO-1-(OXAN-4-YL)-1H-PYRAZOLE | WRDSDCYKWVXMRY-UHFFFAOYSA-N | SCHEMBL1581953 | MFCD11505042 | F2147-4242 | LCZC1098 | 4-Bromo-1-tetrahydro-2H-pyran-4-yl-1H-pyrazole | EN300-1223346 | 4-Bromo-1-(tetrahydro-pyr

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

4-bromo-1-(oxan-4-yl)pyrazole | SY229819 | 4-BROMO-1-(OXAN-4-YL)-1H-PYRAZOLE | WRDSDCYKWVXMRY-UHFFFAOYSA-N | SCHEMBL1581953 | MFCD11505042 | F2147-4242 | LCZC1098 | 4-Bromo-1-tetrahydro-2H-pyran-4-yl-1H-pyrazole | EN300-1223346 | 4-Bromo-1-(tetrahydro-pyr

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1COCCC1N2C=C(C=N2)Br
• IUPAC Name: 4-bromo-1-(oxan-4-yl)pyrazole
• InChIKey: WRDSDCYKWVXMRY-UHFFFAOYSA-N
• INCHI: 1S/C8H11BrN2O/c9-7-5-10-11(6-7)8-1-3-12-4-2-8/h5-6,8H,1-4H2
• Isómeros SMILES: C1COCCC1N2C=C(C=N2)Br
• Peso molecular: 231.09
• Reaxy-Rn: 18771056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18771056&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Aryl bromides Pyrazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Aryl halide - Oxane - Azole - Heteroaromatic compound - Pyrazole - Dialkyl ether - Ether - Oxacycle - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• 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: Light sensitive
• Peso molecular: 231.090 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 230.005 Da
• Monoisotopic Mass: 230.005 Da
• Topological Polar Surface Area: 27.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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