4-Hydroxy-3-iodobenzaldehyde - ≥95% , CAS No.60032-63-5

CAS: 60032-63-5 Cat. No.: H194131 분자식: C₇H₅IO₂ 분자량: 248.02 EC 번호: 190-799-3

GRADE & PURITY ≥95%

Synonyms

doi:10.14272/KNQVIRRXVOTGGT-UHFFFAOYSA-N | FT-0618637 | SCHEMBL151496 | 10.14272/KNQVIRRXVOTGGT-UHFFFAOYSA-N | BB 0217658 | 3-iodo-4-hydroxybenzaldehyde | A1-07414 | KNQVIRRXVOTGGT-UHFFFAOYSA-N | 4-Formyl-2-iodophenol | STK049445 | DS-3910 | A832579 | AKO

Storage

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

Shipped In

Wet ice

Specifications

동의어

doi:10.14272/KNQVIRRXVOTGGT-UHFFFAOYSA-N | FT-0618637 | SCHEMBL151496 | 10.14272/KNQVIRRXVOTGGT-UHFFFAOYSA-N | BB 0217658 | 3-iodo-4-hydroxybenzaldehyde | A1-07414 | KNQVIRRXVOTGGT-UHFFFAOYSA-N | 4-Formyl-2-iodophenol | STK049445 | DS-3910 | A832579 | AKO

사양 및 순도

≥95%

보관 조건

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

배송

Wet ice

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순수함

≥95%

이름과 식별자

• Pubchem Sid: 488191687
• 정식 스마일: C1=CC(=C(C=C1C=O)I)O
• IUPAC Name: 4-hydroxy-3-iodobenzaldehyde
• InChIKey: KNQVIRRXVOTGGT-UHFFFAOYSA-N
• INCHI: 1S/C7H5IO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
• 이성체 SMILES: C1=CC(=C(C=C1C=O)I)O
• 분자량: 248.02
• Reaxy-Rn: 2515867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2515867&ln=

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-2-unsubstituted benzenoids Aryl iodides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-iodophenol - Phenol - Iodobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl iodide - Aryl halide - Monocyclic benzene moiety - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - 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

• 용해성: DMSO (Slightly), Methanol (Slightly)
• 감도: light sensitive
• 녹는점(°C): 109-114°C
• 분자량: 248.020 g/mol
• XLogP3: 1.700
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, 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 60032-63-5, the molecular formula is C7H5IO2, and the molecular weight is 248.02 g/mol. InChIKey KNQVIRRXVOTGGT-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.