4-(Hydroxymethyl)benzaldehyde - ≥98% , CAS No.52010-97-6

CAS: 52010-97-6 Cat. No.: H193722 Formule: C₈H₈O₂ Poids moléculaire: 136.15 Numéro CE: 815-097-2

GRADE & PURITY ≥98%

Synonyms

4-hydroxymethylbenzaidehyde | AKOS016002000 | DTXSID10966345 | a-Hydroxy-p-tolualdehyde | EN300-262820 | SCHEMBL1124751 | STL555767 | SY023702 | 4-(hydroxymethyl)benzaldehyde | 4-(hydroxymethyl)-benzaldehyde | Z1255384176 | BCP07175 | MFCD11870191 | AM803

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4-hydroxymethylbenzaidehyde | AKOS016002000 | DTXSID10966345 | a-Hydroxy-p-tolualdehyde | EN300-262820 | SCHEMBL1124751 | STL555767 | SY023702 | 4-(hydroxymethyl)benzaldehyde | 4-(hydroxymethyl)-benzaldehyde | Z1255384176 | BCP07175 | MFCD11870191 | AM803

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504759249

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759249

Sourires canoniques

C1=CC(=CC=C1CO)C=O

IUPAC Name

4-(hydroxymethyl)benzaldehyde

InChIKey

ZFHUHPNDGVGXMS-UHFFFAOYSA-N

INCHI

1S/C8H8O2/c9-5-7-1-2-8(6-10)4-3-7/h1-5,10H,6H2

Isomères SMILES

C1=CC(=CC=C1CO)C=O

Poids moléculaire

136.15

Reaxy-Rn

878348

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Benzoyl derivatives Benzaldehydes Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Aldehyde - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 136.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 104.000
• 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

Foire aux questions

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 room temperature.

How is this product shipped?

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

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

The CAS Number is 52010-97-6, the molecular formula is C8H8O2, and the molecular weight is 136.15 g/mol. InChIKey ZFHUHPNDGVGXMS-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.