2,3,4-Trimethoxybenzaldehyde - ≥98% , CAS No.2103-57-3

CAS: 2103-57-3 Cat. No.: T107439 Molecular Weight: 196.2 Beilstein Registry Number: 981091 EC Number: 218-271-0 PubChem CID: 75006

GRADE & PURITY ≥98%

Synonyms

2,3,4-Trimethoxybenzaldehyde | 2,3,4-Trimethoxy-benzaldehyde | Benzaldehyde, 2,3,4-trimethoxy- | FT-0609396 | 6-Nitro-2-aminobenzothiazole | STR05639 | 2,3,4-Trimethoxybenzaldehyde, certified reference material, TraceCERT(R) | InChI=1/C10H12O4/c1-12-8-5-4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

2,3,4-Trimethoxybenzaldehyde was used to study the effects of 2,3,4-trimethoxybenzaldehyde on tubulin-dependent GTP hydrolysis

Specifications

Synonyms

2, 3, 4-Trimethoxybenzaldehyde | 2, 3, 4-Trimethoxy-benzaldehyde | Benzaldehyde, 2, 3, 4-trimethoxy- | FT-0609396 | 6-Nitro-2-aminobenzothiazole | STR05639 | 2, 3, 4-Trimethoxybenzaldehyde, certified reference material, TraceCERT(R) | InChI=1/C10H12O4/c1-12-8-5-4

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754891
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754891
• Canonical Smiles: COC1=C(C(=C(C=C1)C=O)OC)OC
• IUPAC Name: 2,3,4-trimethoxybenzaldehyde
• InChIKey: UCTUXUGXIFRVGX-UHFFFAOYSA-N
• INCHI: 1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
• Isomeric SMILES: COC1=C(C(=C(C=C1)C=O)OC)OC
• WGK Germany: 3
• PubChem CID: 75006
• Molecular Weight: 196.2
• Beilstein: 981091
• Reaxy-Rn: 981091

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Benzaldehyde - Anisole - Aryl-aldehyde - Alkyl aryl ether - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

Chemical and Physical Properties

• Sensitivity: Air sensitive ;Moisture sensitive
• Refractive Index: 1.5547
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 168-170°C
• Melt Point(°C): 38-40°C
• Molecular Weight: 196.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 183.000
• 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