4-Chlor-3-fluorobenzaldehyd - ≥98% , CAS No.5527-95-7

CAS: 5527-95-7 Cat. No.: C120611 Summenformel: C₇H₄ClFO Molekulargewicht: 158.56 Beilstein Registry Number: 9(4)953 EG-Nummer: 627-398-4

GRADE & PURITY ≥98%

Synonyms

4-chloro-3-fluoro benzaldehyde | DTXSID50369316 | CL8343 | InChI=1/C7H4ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H | SCHEMBL190947 | F0001-1449 | SB40544 | 4-Chloro-3-Fluorobenzaldehyde, 97% | W-203083 | A828689 | AZMDWRPTDCIFRD-UHFFFAOYSA- | Z838969200 | 3-fluoro

Storage

Lagerung bei 2-8°C, vor Licht geschützt, mit Argon gefüllt

Shipped In

Nasses Eis

Specifications

Synonyme

4-chloro-3-fluoro benzaldehyde | DTXSID50369316 | CL8343 | InChI=1/C7H4ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H | SCHEMBL190947 | F0001-1449 | SB40544 | 4-Chloro-3-Fluorobenzaldehyde, 97% | W-203083 | A828689 | AZMDWRPTDCIFRD-UHFFFAOYSA- | Z838969200 | 3-fluoro

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C, vor Licht geschützt, mit Argon gefüllt

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488192331

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192331

Kanonisches Lächeln

C1=CC(=C(C=C1C=O)F)Cl

IUPAC Name

4-chloro-3-fluorobenzaldehyde

InChIKey

AZMDWRPTDCIFRD-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC(=C(C=C1C=O)F)Cl

WGK Deutschland

3

Molekulargewicht

158.56

Beilstein

9(4)953

Reaxy-Rn

8478157

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8478157&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Chlorobenzene - Aryl-aldehyde - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organofluoride - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light and air and moisture sensitive
• Flammpunkt (°F): 204.8 °F
• Flammpunkt (°C): 96°(206°F)
• Schmelzpunkt (°C): 46-48°C
• Molekulargewicht: 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