4-Bromo-2-fluorobenzaldehyde - ≥97% , CAS No.57848-46-1

CAS: 57848-46-1 Cat. No.: B113798 Peso molecular: 203.01 Número EC: 611-583-1

GRADE & PURITY ≥97%

Synonyms

AKOS000120569 | BENZYL2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSIDE | BP-12085 | 4-Bromo-2-fluorobenzaldehyde | 4-bromo-2-fluoro-benzaldehyde | 4-Bromo-2-flurobenzaldehyde | Octisalate (USP/INN) | MFCD00143261 | SB12947 | InChI=1/C7H4BrFO/c

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS000120569 | BENZYL2-ACETAMIDO-4, 6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSIDE | BP-12085 | 4-Bromo-2-fluorobenzaldehyde | 4-bromo-2-fluoro-benzaldehyde | 4-Bromo-2-flurobenzaldehyde | Octisalate (USP/INN) | MFCD00143261 | SB12947 | InChI=1/C7H4BrFO/c

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488188163
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188163
• Sonrisas canónicas: C1=CC(=C(C=C1Br)F)C=O
• IUPAC Name: 4-bromo-2-fluorobenzaldehyde
• InChIKey: UPCARQPLANFGQJ-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
• Isómeros SMILES: C1=CC(=C(C=C1Br)F)C=O
• WGK Alemania: 3
• Peso molecular: 203.01
• Reaxy-Rn: 7700208
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7700208&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Vinylogous halides Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Fluorobenzene - Aryl-aldehyde - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Vinylogous halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - Organobromide - Organofluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Solubilidad: Insoluble in water.
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 59-64°C
• Peso molecular: 203.010 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.943 Da
• Monoisotopic Mass: 201.943 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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