2-Hydroxy-3-iodobenzaldehyde - ≥98% , CAS No.23602-64-4

CAS: 23602-64-4 Cat. No.: H728297 분자식: C₇H₅IO₂ 분자량: 248.02

GRADE & PURITY ≥98%

Storage

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

Shipped In

Wet ice

Specifications

사양 및 순도

≥98%

보관 조건

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

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

Product Line

H728297-50mg

이름과 식별자

정식 스마일

C1=CC(=C(C(=C1)I)O)C=O

IUPAC Name

2-hydroxy-3-iodobenzaldehyde

InChIKey

HWJJTWWMMHEEAK-UHFFFAOYSA-N

INCHI

1S/C7H5IO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H

이성체 SMILES

C1=CC(=C(C(=C1)I)O)C=O

대체 CAS

23602-64-4

분자량

248.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: O-iodophenols Benzoyl derivatives Iodobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl iodides Vinylogous acids Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-iodophenol - 2-halophenol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Organoiodide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• 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;Light sensitive
• 녹는점(°C): 69-71 °C
• 분자량: 248.020 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.933 Da
• Monoisotopic Mass: 247.933 Da
• Topological Polar Surface Area: 37.300 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