2,6-Difluorobenzaldehyde - ≥98% , CAS No.437-81-0

CAS: 437-81-0 Cat. No.: D102347 분자식: F₂C₆H₃CHO 분자량: 142.1 Beilstein Registry Number: 1935273 EC 번호: 610-142-0

등급 & 순도 ≥98%

Synonyms

A1693 | MFCD00010293 | Z104477798 | STL480837 | CL8251 | DTXSID40195909 | Germain's | 2,6-difluorbenzaldehyde | Benzaldehyde, 2,6-difluoro- | AKOS000120437 | C9H14N3O8P | FT-0610645 | 2,6-Difluorobenzaldehyde | 2,6-difluoro-benzaldehyde | SY003095 | F0001

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

application：

2,6-Difluorobenzaldehyde can be used as a reactant to synthesize:

5-Cyano-6-(2,6-difluorophenyl)-5,6-dihydro-2-thiouracil via one-pot cyclocondensation reaction with ethyl cyanoacetate and thiourea.

1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-benzimidazole by reacting with 1,2-phenylenediamine in the presence of a catalytic amount of p-toluenesulfonic acid.

(3E)-4-(2,6-Difluorophenyl)-3-buten-2-one by Wittig olefination reaction with acetylmethylidenetriphenyl phosphorane.

Methyl 4-fluorobenzo[b]thiophene-2-carboxylate by treating with methyl thioglycolate in the presence of K2CO3.

사양

동의어

A1693 | MFCD00010293 | Z104477798 | STL480837 | CL8251 | DTXSID40195909 | Germain's | 2,6-difluorbenzaldehyde | Benzaldehyde, 2,6-difluoro- | AKOS000120437 | C9H14N3O8P | FT-0610645 | 2,6-Difluorobenzaldehyde | 2,6-difluoro-benzaldehyde | SY003095 | F0001

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

488187854

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187854

정식 스마일

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

IUPAC Name

2,6-difluorobenzaldehyde

InChIKey

SOWRUJSGHKNOKN-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

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

WGK 독일

2

분자량

142.1

Beilstein

1935273

Reaxy-Rn

1935273

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1935273&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air sensitive
• 동결점(°C): 20 °C
• 굴절률: 1.502
• 발화점(°F): 163.4 °F
• 발화점(°C): 73°C
• 끓는점(°C): 82-84 °C/15 mmHg
• 녹는점(°C): 15-17°C
• 분자량: 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

자주 묻는 질문

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 437-81-0, the molecular formula is C7H4F2O, and the molecular weight is 142.1 g/mol. InChIKey SOWRUJSGHKNOKN-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.