4-Bromo-2-(morpholin-4-yl)benzaldehyde - ≥95% , CAS No.736990-80-0

CAS: 736990-80-0 Cat. No.: B194816 Fórmula: C₁₁H₁₂BrNO₂ Peso molecular: 270.12

GRADE & PURITY ≥95%

Synonyms

4-Bromo-2-(N-morpholino)benzaldehyde | 4-Bromo-2-(N-morpholino)-benzaldehyde | DS-1170 | 4-bromanyl-2-morpholin-4-yl-benzaldehyde | 4-Bromo-2-(N-morpholino)-benzaldehyde, AldrichCPR | 4-bromo-2-morpholin-4-ylbenzaldehyde | 4-bromo-2-morpholin-4-yl-benzald

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-Bromo-2-(N-morpholino)benzaldehyde | 4-Bromo-2-(N-morpholino)-benzaldehyde | DS-1170 | 4-bromanyl-2-morpholin-4-yl-benzaldehyde | 4-Bromo-2-(N-morpholino)-benzaldehyde, AldrichCPR | 4-bromo-2-morpholin-4-ylbenzaldehyde | 4-bromo-2-morpholin-4-yl-benzald

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

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: C1COCCN1C2=C(C=CC(=C2)Br)C=O
• IUPAC Name: 4-bromo-2-morpholin-4-ylbenzaldehyde
• InChIKey: NHMBQHROXJDMPA-UHFFFAOYSA-N
• INCHI: 1S/C11H12BrNO2/c12-10-2-1-9(8-14)11(7-10)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
• Isómeros SMILES: C1COCCN1C2=C(C=CC(=C2)Br)C=O
• Peso molecular: 270.12
• Reaxy-Rn: 20709462
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20709462&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Benzoyl derivatives Benzaldehydes Aniline and substituted anilines Bromobenzenes Aryl bromides Vinylogous amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Benzaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aryl-aldehyde - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Tertiary amine - Ether - Dialkyl ether - Azacycle - Oxacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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: Air sensitive
• Peso molecular: 270.120 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 269.005 Da
• Monoisotopic Mass: 269.005 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 219.000
• 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