3,5-Difluorobenzaldehyde - ≥98% , CAS No.32085-88-4

CAS: 32085-88-4 Cat. No.: D120912 Formula: C₇H₄F₂O Molecular Weight: 142.10 Beilstein Registry Number: 2573392 EC Number: 608-701-9

GRADE & PURITY ≥98%

Synonyms

ASOFZHSTJHGQDT-UHFFFAOYSA- | 3, 5-difluorobenzaldehyde | D2626 | MFCD00010329 | AC-3836 | J-511324 | SCHEMBL96269 | Z608082892 | A937187 | AM20040165 | A1633 | DTXSID30343199 | AB01034 | (3,5-difluorophenyl)methanone | 3,5difluorobenzaldehyde | 3,5-Difluo

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

The 19F{′H} spectra of 3,5-difluorobenzaldehyde at low temperature in dimethyl ether solution was studied.

Specifications

Synonyms

ASOFZHSTJHGQDT-UHFFFAOYSA- | 3, 5-difluorobenzaldehyde | D2626 | MFCD00010329 | AC-3836 | J-511324 | SCHEMBL96269 | Z608082892 | A937187 | AM20040165 | A1633 | DTXSID30343199 | AB01034 | (3,5-difluorophenyl)methanone | 3,5difluorobenzaldehyde | 3,5-Difluo

Specifications & Purity

≥98%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488190486

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190486

Canonical Smiles

C1=C(C=C(C=C1F)F)C=O

IUPAC Name

3,5-difluorobenzaldehyde

InChIKey

ASOFZHSTJHGQDT-UHFFFAOYSA-N

INCHI

1S/C7H4F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

Isomeric SMILES

C1=C(C=C(C=C1F)F)C=O

WGK Germany

3

Molecular Weight

142.10

Beilstein

2573392

Reaxy-Rn

2573392

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2573392&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.493
• Flash Point(°F): 132 °F
• Flash Point(°C): 56°C
• Boil Point(°C): 61-63°/43mmHg
• Melt Point(°C): 25°C
• Molecular Weight: 142.100 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.023 Da
• Monoisotopic Mass: 142.023 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 117.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 32085-88-4, the molecular formula is C7H4F2O, and the molecular weight is 142.10 g/mol. InChIKey ASOFZHSTJHGQDT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.