2,6-Dimethoxyaniline - ≥97% , CAS No.2734-70-5

CAS: 2734-70-5 Cat. No.: D122535 Formule: C₈H₁₁NO₂ Poids moléculaire: 153.18 Numéro CE: 679-090-4

GRADE & PURITY ≥97%

Synonyms

NSC43758 | NSC-43758 | 2,6-dimethoxyphenylamine | Benzenamine, 2,6-dimethoxy- | 2,6-Dimethoxy-phenylamine | STL557229 | EN300-109597 | FT-0600952 | MFCD00053934 | A19804 | 2 6-dimethoxyaniline | 2,6-Dimethoxy aniline | PS-5218 | NSC 43758 | AKOS000302074

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

Application

2,6-Dimethylaniline degradation by Fenton process has been studied in depth for the purpose of learning more about the reactions involved in the oxidation of 2,6-dimethylaniline under various reaction conditions. Using a previously developed gas chromatographic-mass spectrometric assay, hemoglobin adducts of 2,6-dimethylaniline were detected covalently bound to rat hemoglobin after administration of either 2,6-dimethylaniline or lidocaine.

Specifications

Synonymes

NSC43758 | NSC-43758 | 2,6-dimethoxyphenylamine | Benzenamine, 2,6-dimethoxy- | 2,6-Dimethoxy-phenylamine | STL557229 | EN300-109597 | FT-0600952 | MFCD00053934 | A19804 | 2 6-dimethoxyaniline | 2,6-Dimethoxy aniline | PS-5218 | NSC 43758 | AKOS000302074

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504756294

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756294

Sourires canoniques

COC1=C(C(=CC=C1)OC)N

IUPAC Name

2,6-dimethoxyaniline

InChIKey

HQBJSEKQNRSDAZ-UHFFFAOYSA-N

INCHI

1S/C8H11NO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,9H2,1-2H3

Isomères SMILES

COC1=C(C(=CC=C1)OC)N

Poids moléculaire

153.18

Reaxy-Rn

2803750

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803750&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Methoxyanilines Aminophenyl ethers Phenoxy compounds Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Ether - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

• Solubilité: Slightly soluble in water.
• Sensibilité: air sensitive
• Point d'ébullition (°C): 140 °C
• Point de fusion (°C): 76-78°C
• Poids moléculaire: 153.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.079 Da
• Monoisotopic Mass: 153.079 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 107.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature 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 2734-70-5, the molecular formula is C8H11NO2, and the molecular weight is 153.18 g/mol. InChIKey HQBJSEKQNRSDAZ-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.