4-(Difluoromethoxy)benzaldehyde - ≥98%(GC) , CAS No.73960-07-3

CAS: 73960-07-3 Cat. No.: D124182 Molecular Weight: 172.13 Beilstein Registry Number: 3049286 EC Number: 277-653-5

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00042252 | DS-14846 | AKOS000103764 | P-DIFLUOROMETHOXYBENZALDEHYDE | AM84050 | Z55671895 | EINECS 277-653-5 | FT-0616745 | SCHEMBL607344 | 4-difluoromethoxybenzaldehyde | 4-Difluoromethoxy-benzaldehyde | 4-(Difluoromethoxy)benzaldehyde, 95% | CL8351

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

description：

4-(Difluoromethoxy)benzaldehyde is a p-difluoromethoxy substituted benzaldehyde.

application：

4-(Difluoromethoxy)benzaldehyde may be used for the preparation of 4-(4-difluoro­methoxy­phen­yl)-1,2,3,4,5,6,7,8-octa­hydro­quinazoline-2,5-dione, via one-pot three-component reaction with cyclo­hexane-1,3-dione and urea.

Specifications

Synonyms

MFCD00042252 | DS-14846 | AKOS000103764 | P-DIFLUOROMETHOXYBENZALDEHYDE | AM84050 | Z55671895 | EINECS 277-653-5 | FT-0616745 | SCHEMBL607344 | 4-difluoromethoxybenzaldehyde | 4-Difluoromethoxy-benzaldehyde | 4-(Difluoromethoxy)benzaldehyde, 95% | CL8351

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488192855
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192855
• Canonical Smiles: C1=CC(=CC=C1C=O)OC(F)F
• IUPAC Name: 4-(difluoromethoxy)benzaldehyde
• InChIKey: ZWCXOJYJJINQGU-UHFFFAOYSA-N
• INCHI: 1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H
• Isomeric SMILES: C1=CC(=CC=C1C=O)OC(F)F
• WGK Germany: 3
• Molecular Weight: 172.13
• Beilstein: 3049286
• Reaxy-Rn: 3049286
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3049286&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Aryl-aldehyde - Monocyclic benzene moiety - Aldehyde - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.5030 - 1.5070
• Flash Point(°F): 228.2 °F
• Flash Point(°C): 109°C
• Boil Point(°C): 87°C/3mmHg
• Molecular Weight: 172.130 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• 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: 142.000
• 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