2,3-Difluoro-4-metossi-benzaldeide - ≥98% , CAS No.256417-11-5

CAS: 256417-11-5 Cat. No.: D183197 Formula: C₈H₆F₂O₂ Peso molecolare: 172.13 Numero EC: 642-790-5

GRADE & PURITY ≥98%

Synonyms

Benzaldehyde, 2,3-difluoro-4-methoxy- | FT-0729858 | AKOS005254734 | JS-4317 | 2,3-Difluoro-4-methoxybenzaldehyde, AldrichCPR | A817940 | EN300-206738 | Z1201622919 | STL554310 | AMY8663 | 2,3-Difluoro-4-methoxybenzaldehyde | 2,3-difluoro-4-methoxy-benzal

Storage

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Sinonimi

Benzaldehyde, 2,3-difluoro-4-methoxy- | FT-0729858 | AKOS005254734 | JS-4317 | 2,3-Difluoro-4-methoxybenzaldehyde, AldrichCPR | A817940 | EN300-206738 | Z1201622919 | STL554310 | AMY8663 | 2,3-Difluoro-4-methoxybenzaldehyde | 2,3-difluoro-4-methoxy-benzal

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488194544

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194544

Sorrisi canonici

COC1=C(C(=C(C=C1)C=O)F)F

IUPAC Name

2,3-difluoro-4-methoxybenzaldehyde

InChIKey

UBBBLLSKHCENQZ-UHFFFAOYSA-N

INCHI

1S/C8H6F2O2/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-4H,1H3

Isomeri SMILES

COC1=C(C(=C(C=C1)C=O)F)F

Peso molecolare

172.13

Reaxy-Rn

7128492

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7128492&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: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzaldehyde - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Ether - Organofluoride - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - 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

• Punto di fusione (°C): 63-66℃
• Peso molecolare: 172.130 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.034 Da
• Monoisotopic Mass: 172.034 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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