3-에톡시-4-플루오로벤즈알데히드 - ≥96% , CAS No.870837-27-7

CAS: 870837-27-7 Cat. No.: E187299 분자식: C₉H₉FO₂ 분자량: 168.2

등급 & 순도 ≥96%

Synonyms

D82303 | Benzaldehyde, 3-ethoxy-4-fluoro- | MFCD12022599 | AKOS005264019 | 3-Ethoxy-4-fluorobenzaldehyde | 3-ethoxy-4-fluoro-benzaldehyde | SCHEMBL1121313 | VJB83727 | DTXSID60655090 | BS-17689 | HZNOPWKQZZXRIF-UHFFFAOYSA-N

Storage

Room temperature

Shipped In

보통

사양

동의어

D82303 | Benzaldehyde, 3-ethoxy-4-fluoro- | MFCD12022599 | AKOS005264019 | 3-Ethoxy-4-fluorobenzaldehyde | 3-ethoxy-4-fluoro-benzaldehyde | SCHEMBL1121313 | VJB83727 | DTXSID60655090 | BS-17689 | HZNOPWKQZZXRIF-UHFFFAOYSA-N

사양 및 순도

≥96%

보관 조건

Room temperature

배송

보통

순수함

≥96%

이름과 식별자

정식 스마일

CCOC1=C(C=CC(=C1)C=O)F

IUPAC Name

3-ethoxy-4-fluorobenzaldehyde

InChIKey

HZNOPWKQZZXRIF-UHFFFAOYSA-N

INCHI

1S/C9H9FO2/c1-2-12-9-5-7(6-11)3-4-8(9)10/h3-6H,2H2,1H3

이성체 SMILES

CCOC1=C(C=CC(=C1)C=O)F

분자량

168.2

Reaxy-Rn

11288428

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11288428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl-aldehyde - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organohalogen compound - Aldehyde - Organic oxide - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 168.160 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.059 Da
• Monoisotopic Mass: 168.059 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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

How is this product shipped?

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

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 870837-27-7, the molecular formula is C9H9FO2, and the molecular weight is 168.2 g/mol. InChIKey HZNOPWKQZZXRIF-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.