4,5-Dimethoxy-2-nitroaniline - ≥98% , CAS No.7595-31-5

CAS: 7595-31-5 Cat. No.: D590102 Formule: C₈H₁₀N₂O₄ Poids moléculaire: 198.18 Numéro CE: 850-572-8

QUALITÉ & PURETÉ ≥98%

Synonyms

(4,5-dimethoxy-2-nitro-phenyl)-amine | 5-amino-4-nitroveratrole | Benzenamine, 4,5-dimethoxy-2-nitro- | STL257795 | A865587 | FT-0667229 | EN300-13715 | J-514245 | FE-0773 | 4,5-dimethoxy-2-nitrophenylamine | 4,5-dimethoxy-2-nitroaniline | SCHEMBL3480822

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

(4,5-dimethoxy-2-nitro-phenyl)-amine | 5-amino-4-nitroveratrole | Benzenamine, 4,5-dimethoxy-2-nitro- | STL257795 | A865587 | FT-0667229 | EN300-13715 | J-514245 | FE-0773 | 4,5-dimethoxy-2-nitrophenylamine | 4,5-dimethoxy-2-nitroaniline | SCHEMBL3480822

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

COC1=C(C=C(C(=C1)N)[N+](=O)[O-])OC

IUPAC Name

4,5-dimethoxy-2-nitroaniline

InChIKey

LDAJFLKWQVYIFG-UHFFFAOYSA-N

INCHI

1S/C8H10N2O4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,9H2,1-2H3

Isomères SMILES

COC1=C(C=C(C(=C1)N)[N+](=O)[O-])OC

Poids moléculaire

198.18

Reaxy-Rn

2110103

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2110103&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Dimethoxybenzenes Methoxyanilines Aminophenyl ethers Phenoxy compounds Nitroaromatic compounds Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - Aminophenyl ether - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Primary amine - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
• 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

• Sensibilité: light sensitive
• Point de fusion (°C): 175-176°
• Poids moléculaire: 198.180 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 198.064 Da
• Monoisotopic Mass: 198.064 Da
• Topological Polar Surface Area: 90.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 206.000
• 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