Methyl Terephthalaldehydate - Moligand™, ≥98%(GC) , CAS No.1571-08-0

CAS: 1571-08-0 Cat. No.: M157838 Formula: C₉H₈O₃ Peso molecolare: 164.16 Beilstein Registry Number: 775895 Numero EC: 216-385-5

GRADE & PURITY Moligand™, ≥98%(GC)

Synonyms

FT-0633673 | 4-Carbmethoxybenzaldehyde | HSDB 5842 | p-Formylbenzoic acid methyl ester | p-Methoxycarbonylbenzaldehyde | 4-methoxycarbonylbenzaldehyde | SMR001252203 | CAS-1571-08-0 | Methyl benzaldehyde-4-carboxylate | Methyl 4-formylbezoate | EN300-1545

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Sinonimi

FT-0633673 | 4-Carbmethoxybenzaldehyde | HSDB 5842 | p-Formylbenzoic acid methyl ester | p-Methoxycarbonylbenzaldehyde | 4-methoxycarbonylbenzaldehyde | SMR001252203 | CAS-1571-08-0 | Methyl benzaldehyde-4-carboxylate | Methyl 4-formylbezoate | EN300-1545

Specifiche e purezza

Moligand™, ≥98%(GC)

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged,Desiccated

Spedito in

Normal

Grado

Moligand™

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488182095

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182095

Sorrisi canonici

COC(=O)C1=CC=C(C=C1)C=O

IUPAC Name

methyl 4-formylbenzoate

InChIKey

FEIOASZZURHTHB-UHFFFAOYSA-N

INCHI

1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3

Isomeri SMILES

COC(=O)C1=CC=C(C=C1)C=O

WGK Germania

2

Peso molecolare

164.16

Beilstein

775895

Reaxy-Rn

775895

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775895&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Benzaldehydes Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Benzaldehyde - Aryl-aldehyde - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Obiettivi associati (umani)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water. Solubility in Methanol almost transparency
• Sensibilità: Air sensitive；Light sensitive
• Punto di infiammabilità (°F): 262.4 °F
• Punto di infiammabilità (°C): 128 °C
• Punto di ebollizione (°C): 265°C
• Punto di fusione (°C): 59-63 °C
• Peso molecolare: 164.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 164.047 Da
• Monoisotopic Mass: 164.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store in a cool place, protected from light, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1571-08-0, the molecular formula is C9H8O3, and the molecular weight is 164.16 g/mol. InChIKey FEIOASZZURHTHB-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.