3,5-Dihydroxybenzaldehyde - ≥98% , CAS No.26153-38-8

CAS: 26153-38-8 Cat. No.: D120469 분자식: (HO)₂C₆H₃CHO 분자량: 138.12 Beilstein Registry Number: 1930147 EC 번호: 247-479-4

GRADE & PURITY ≥98%

Synonyms

AM20120664 | AS-32854 | AKOS005258327 | 3,5-dihydroxy benzaldehyde | SCHEMBL37131 | BBL101356 | PD131130 | EINECS 247-479-4 | InChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10 | STL555152 | MFCD00016611 | W-107196 | Q27121981 | DTXSID60180776 | A20612 | .a

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

3,5-Dihydroxybenzaldehyde is suitable for use in the synthesis of 3,5-dihydroxyphenylglycine (3,5-DHPG). It may be used in the synthesis of: fulgide7 3,5-bis(undeca-4,6-diynyloxy)benzaldehyde 3,5-didodecyloxybenzaldehyde 1′-methyl-1′,5′-dihydro-2′-(3,5-bis(undeca-4,6-diynyloxy)phenyl)-1H-pyrrolo[3′,4′:1,9](C60-Ih)[5,6]fullerene (F2D)

Specifications

동의어

AM20120664 | AS-32854 | AKOS005258327 | 3,5-dihydroxy benzaldehyde | SCHEMBL37131 | BBL101356 | PD131130 | EINECS 247-479-4 | InChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10 | STL555152 | MFCD00016611 | W-107196 | Q27121981 | DTXSID60180776 | A20612 | .a

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504756215

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756215

정식 스마일

C1=C(C=C(C=C1O)O)C=O

IUPAC Name

3,5-dihydroxybenzaldehyde

InChIKey

HAQLHRYUDBKTJG-UHFFFAOYSA-N

INCHI

1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H

이성체 SMILES

C1=C(C=C(C=C1O)O)C=O

WGK 독일

3

분자량

138.12

Beilstein

1930147

Reaxy-Rn

1930147

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1930147&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: Resorcinols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Resorcinol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - 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: dihydroxybenzaldehyde

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: Soluble in ethanol and diethyl ether.
• 감도: Air Sensitive
• 녹는점(°C): 158-161°C
• 분자량: 138.120 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.032 Da
• Monoisotopic Mass: 138.032 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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 2–8 °C 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 26153-38-8, the molecular formula is C7H6O3, and the molecular weight is 138.12 g/mol. InChIKey HAQLHRYUDBKTJG-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.