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

CAS: 32085-88-4 Cat. No.: D120912 분자식: C₇H₄F₂O 분자량: 142.10 Beilstein Registry Number: 2573392 EC 번호: 608-701-9

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488190486

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

분자량

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
    • 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 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
• 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
• 굴절률: 1.493
• 발화점(°F): 132 °F
• 발화점(°C): 56°C
• 끓는점(°C): 61-63°/43mmHg
• 녹는점(°C): 25°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 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.