4-Vinylbenzaldehyde - ≥97% , CAS No.1791-26-0

CAS: 1791-26-0 Cat. No.: V587715 분자식: C₉H₈O 분자량: 132.16 EC 번호: 829-065-0 PubChem CID: 39389

등급 & 순도 ≥97%

Synonyms

SCHEMBL92255 | F17742 | Benzaldehyde, 4-ethenyl- | 4-vinylbenzaldehyde | 4-Vinyl-benzaldehyde | AS-58348 | AKOS006228133 | UNII-76025X541R | 4-vinyl benzaldehyde | p-vinylbenzaldehyde | FT-0697851 | 76025X541R | DTXSID70170769 | Z1198150327 | p-formylstyr

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

사양

동의어

SCHEMBL92255 | F17742 | Benzaldehyde, 4-ethenyl- | 4-vinylbenzaldehyde | 4-Vinyl-benzaldehyde | AS-58348 | AKOS006228133 | UNII-76025X541R | 4-vinyl benzaldehyde | p-vinylbenzaldehyde | FT-0697851 | 76025X541R | DTXSID70170769 | Z1198150327 | p-formylstyr

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

508809337

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809337

정식 스마일

C=CC1=CC=C(C=C1)C=O

IUPAC Name

4-ethenylbenzaldehyde

InChIKey

QBFNGLBSVFKILI-UHFFFAOYSA-N

INCHI

1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h2-7H,1H2

이성체 SMILES

C=CC1=CC=C(C=C1)C=O

PubChem CID

39389

분자량

132.16

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: Styrenes Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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
• 분자량: 132.160 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.058 Da
• Monoisotopic Mass: 132.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 121.000
• 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