5-Chloro-2-fluorobenzaldehyde - ≥97% , CAS No.96515-79-6

CAS: 96515-79-6 Cat. No.: C120622 Formula: C₇H₄ClFO Peso molecolare: 158.56 Numero EC: 642-608-4

QUALITÀ & PUREZZA ≥97%

Synonyms

AM20060035 | 2-fluoro-5-chloro benzaldehyde | PS-8804 | WDTUCEMLUHTMCB-UHFFFAOYSA-N | DTXSID20378576 | AKOS005255187 | FT-0601449 | CL8373 | J-517300 | SY017708 | MFCD03094518 | 5-Chloro-2-fluorobenzaldehyde | 5-Chloro-2-fluoro-benzaldehyde | BENZALDEHYDE

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifiche

Sinonimi

AM20060035 | 2-fluoro-5-chloro benzaldehyde | PS-8804 | WDTUCEMLUHTMCB-UHFFFAOYSA-N | DTXSID20378576 | AKOS005255187 | FT-0601449 | CL8373 | J-517300 | SY017708 | MFCD03094518 | 5-Chloro-2-fluorobenzaldehyde | 5-Chloro-2-fluoro-benzaldehyde | BENZALDEHYDE

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488193522

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193522

Sorrisi canonici

C1=CC(=C(C=C1Cl)C=O)F

IUPAC Name

5-chloro-2-fluorobenzaldehyde

InChIKey

WDTUCEMLUHTMCB-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=CC(=C(C=C1Cl)C=O)F

Peso molecolare

158.56

Reaxy-Rn

5861254

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5861254&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.541
• Punto di fusione (°C): 29-32°C
• Peso molecolare: 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