2-Chloro-3-fluorobenzaldehyde - ≥97% , CAS No.96516-31-3

CAS: 96516-31-3 Cat. No.: C124145 Fórmula: C₇H₄ClFO Peso molecular: 158.56 Número EC: 872-610-2

CALIDAD & PUREZA ≥97%

Synonyms

FT-0602508 | 2-Chloro-3-fluoro-benzaldehyde | AC-2298 | Benzaldehyde, 2-chloro-3-fluoro- | AKOS005063859 | 2-Chloro-3-fluorobenzaldehyde | AM62155 | BB 0261193 | A21248 | CL8262 | starbld0008954 | 2-chlorofluorobenzaldehyde | EN300-91976 | MFCD07782053 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificaciones

Sinónimos

FT-0602508 | 2-Chloro-3-fluoro-benzaldehyde | AC-2298 | Benzaldehyde, 2-chloro-3-fluoro- | AKOS005063859 | 2-Chloro-3-fluorobenzaldehyde | AM62155 | BB 0261193 | A21248 | CL8262 | starbld0008954 | 2-chlorofluorobenzaldehyde | EN300-91976 | MFCD07782053 |

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

Pubchem Sid

528756775

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528756775

Sonrisas canónicas

C1=CC(=C(C(=C1)F)Cl)C=O

IUPAC Name

2-chloro-3-fluorobenzaldehyde

InChIKey

PIZVRLVKXWEMGO-UHFFFAOYSA-N

INCHI

1S/C7H4ClFO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H

Isómeros SMILES

C1=CC(=C(C(=C1)F)Cl)C=O

Peso molecular

158.56

Reaxy-Rn

5861248

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5861248&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 fusión (°C): 29-32℃
• 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