4-Methoxy-3-nitroaniline - ≥97% , CAS No.577-72-0

CAS: 577-72-0 Cat. No.: D304043 分子式: C₇H₈N₂O₃ 分子量: 168.15 EC番号: 684-537-1

グレード＆純度 ≥97%

Synonyms

AM20040759 | 4-Methoxy-3-nitrobenzenamine | Benzenamine, 4-methoxy-3-nitro- | EN300-126274 | A837301 | DTXSID40206408 | Q-102001 | SCHEMBL2211964 | A8226 | AO-801/41077431 | p-Anisidine, 3-nitro-, | STK390544 | AC-7301 | FT-0632425 | BBL002666 | 4-Amino-2

Storage

Room temperature,Desiccated

Shipped In

Normal

仕様

同義語

AM20040759 | 4-Methoxy-3-nitrobenzenamine | Benzenamine, 4-methoxy-3-nitro- | EN300-126274 | A837301 | DTXSID40206408 | Q-102001 | SCHEMBL2211964 | A8226 | AO-801/41077431 | p-Anisidine, 3-nitro-, | STK390544 | AC-7301 | FT-0632425 | BBL002666 | 4-Amino-2

仕様と純度

≥97%

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488187707

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488187707

カノニカル・スマイル

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

IUPAC Name

4-methoxy-3-nitroaniline

InChIKey

RUFOHZDEBFYQSV-UHFFFAOYSA-N

INCHI

1S/C7H8N2O3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,8H2,1H3

異性体SMILES

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

分子量

168.15

Reaxy-Rn

2210798

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210798&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: Methoxyanilines Aminophenyl ethers Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

• 分子量: 168.150 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.053 Da
• Monoisotopic Mass: 168.053 Da
• Topological Polar Surface Area: 81.100 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