2,4-Difluorobenzaldehyde - ≥98% , CAS No.1550-35-2

CAS: 1550-35-2 Cat. No.: D120656 分子式: C₇H₄F₂O 分子量: 142.1 Beilstein Registry Number: 2243420 EC番号: 216-287-2

GRADE & PURITY ≥98%

Synonyms

Metasap XX | FT-0651771 | STK510038 | BP-21347 | F2190-0609 | 2.4-difluorobenzaldehyde | 4-iodo-nitrobenzene | Benzaldehyde, 2,4-difluoro- | SCHEMBL96915 | DTXSID40165788 | W-108024 | FT-0610082 | 4,6-Difluorobenzaldehyde | TD1185 | 2,4-Difluorobenzaldehy

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

The emission and absorption spectra of 2,4-difluorobenzaldehyde were studied.

Specifications

同義語

Metasap XX | FT-0651771 | STK510038 | BP-21347 | F2190-0609 | 2.4-difluorobenzaldehyde | 4-iodo-nitrobenzene | Benzaldehyde, 2,4-difluoro- | SCHEMBL96915 | DTXSID40165788 | W-108024 | FT-0610082 | 4,6-Difluorobenzaldehyde | TD1185 | 2,4-Difluorobenzaldehy

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488184804

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184804

カノニカル・スマイル

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

IUPAC Name

2,4-difluorobenzaldehyde

InChIKey

WCGPCBACLBHDCI-UHFFFAOYSA-N

INCHI

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

異性体SMILES

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

WGKドイツ

3

分子量

142.1

Beilstein

2243420

Reaxy-Rn

2243422

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2243422&ln=

Taxonomic Classification

Taxonomy Tree

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

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

作用メカニズム

化学的性質と物理的性質

• 感度: Air Sensitive
• 屈折率: 1.498
• 引火点（°F）: 131 °F
• 引火点（°C）: 55°(131°F)
• 沸点（°C）: 65-66°/17mmHg
• 融点（°C）: 2-3°C
• 分子量: 142.100 g/mol
• XLogP3: 1.800
• 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: 127.000
• 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

よくある質問

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 1550-35-2, the molecular formula is C7H4F2O, and the molecular weight is 142.1 g/mol. InChIKey WCGPCBACLBHDCI-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.