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

CAS: 7595-31-5 Cat. No.: D590102 分子式: C₈H₁₀N₂O₄ 分子量: 198.18 EC番号: 850-572-8

GRADE & PURITY ≥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

Specifications

同義語

(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

仕様と純度

≥98%

保管条件

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

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: light sensitive
• 融点（°C）: 175-176°
• 分子量: 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