2-Fluoro-3-nitrobenzaldehyde - ≥98% , CAS No.96516-29-9

CAS: 96516-29-9 Cat. No.: F188893 Formule: C₇H₄FNO₃ Poids moléculaire: 169.11 Numéro CE: 810-888-9

GRADE & PURITY ≥98%

Synonyms

Benzaldehyde, 2-fluoro-3-nitro- | MFCD08669885 | DS-0441 | SY025595 | DTXSID90440658 | WLDHPJSICUOHTH-UHFFFAOYSA-N | FT-0647359 | AB46095 | EN300-211255 | J-509378 | AM20050213 | Z1198180704 | SCHEMBL698799 | AKOS006290001 | 2-FLUORO-3-NITROBENZALDEHYDE |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

Benzaldehyde, 2-fluoro-3-nitro- | MFCD08669885 | DS-0441 | SY025595 | DTXSID90440658 | WLDHPJSICUOHTH-UHFFFAOYSA-N | FT-0647359 | AB46095 | EN300-211255 | J-509378 | AM20050213 | Z1198180704 | SCHEMBL698799 | AKOS006290001 | 2-FLUORO-3-NITROBENZALDEHYDE |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528756408
• Sourires canoniques: C1=CC(=C(C(=C1)[N+](=O)[O-])F)C=O
• IUPAC Name: 2-fluoro-3-nitrobenzaldehyde
• InChIKey: WLDHPJSICUOHTH-UHFFFAOYSA-N
• INCHI: 1S/C7H4FNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H
• Isomères SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])F)C=O
• Poids moléculaire: 169.11
• Reaxy-Rn: 5905792
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5905792&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzaldehydes
• Alternative Parents: Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Fluorobenzenes Aryl fluorides Vinylogous halides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl-aldehyde - Aryl halide - Aryl fluoride - Vinylogous halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 169.110 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 169.018 Da
• Monoisotopic Mass: 169.018 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 192.000
• 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