2-Chloro-4-fluorobenzaldehyde - ≥97% , CAS No.84194-36-5

CAS: 84194-36-5 Cat. No.: C120604 Peso molecular: 158.56 Beilstein Registry Number: 3537704 Número EC: 617-548-7

GRADE & PURITY ≥97%

Synonyms

2-chloro 4-fluorobenzaldehyde | BCP29326 | DTXSID10233105 | 2-Chloro-4-fluorobenzaldehyde, 97% | 4-fluoro-2-chlorobenzaldehyde | FT-0611757 | Z1079442562 | 2-chloranyl-4-fluoranyl-benzaldehyde | 2-chloro 4-fluoro benzaldehyde | EN300-71424 | STK891549 | A

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-chloro 4-fluorobenzaldehyde | BCP29326 | DTXSID10233105 | 2-Chloro-4-fluorobenzaldehyde, 97% | 4-fluoro-2-chlorobenzaldehyde | FT-0611757 | Z1079442562 | 2-chloranyl-4-fluoranyl-benzaldehyde | 2-chloro 4-fluoro benzaldehyde | EN300-71424 | STK891549 | A

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504757280
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757280
• Sonrisas canónicas: C1=CC(=C(C=C1F)Cl)C=O
• IUPAC Name: 2-chloro-4-fluorobenzaldehyde
• InChIKey: KMQWNQKESAHDKD-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
• Isómeros SMILES: C1=CC(=C(C=C1F)Cl)C=O
• WGK Alemania: 3
• Peso molecular: 158.56
• Beilstein: 3537704
• Reaxy-Rn: 3537704
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3537704&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 Chlorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Chlorobenzene - Fluorobenzene - Aryl-aldehyde - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - Organochloride - 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

• Sensibilidad: Air Sensitive
• Punto de inflamación (°F): >110°(230°F)
• Punto de inflamación (°C): >110°(230°F)
• Punto de ebullición (°C): 118-120°/50mmHg
• Punto de fusión (°C): 60-63°C
• Peso molecular: 158.560 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.993 Da
• Monoisotopic Mass: 157.993 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