3-Methoxy-2-nitro-phenylamine - ≥97% , CAS No.16554-47-5

CAS: 16554-47-5 Cat. No.: M167763 Fórmula: C₇H₈N₂O₃ Peso molecular: 168.15

GRADE & PURITY ≥97%

Synonyms

3-methoxy-2-nitro aniline | 2-nitro-3-methoxyaniline | SY007954 | SCHEMBL104227 | GS-3741 | 3-Amino-2-nitroanisole | SB34131 | Benzenamine, 3-methoxy-2-nitro- | MP-0112 | 3-Methoxy-2-nitroaniline | MFCD18324417 | F13585 | RITQAMSEQYWFML-UHFFFAOYSA-N | A88

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-methoxy-2-nitro aniline | 2-nitro-3-methoxyaniline | SY007954 | SCHEMBL104227 | GS-3741 | 3-Amino-2-nitroanisole | SB34131 | Benzenamine, 3-methoxy-2-nitro- | MP-0112 | 3-Methoxy-2-nitroaniline | MFCD18324417 | F13585 | RITQAMSEQYWFML-UHFFFAOYSA-N | A88

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488196671
• Sonrisas canónicas: COC1=CC=CC(=C1[N+](=O)[O-])N
• IUPAC Name: 3-methoxy-2-nitroaniline
• InChIKey: RITQAMSEQYWFML-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,8H2,1H3
• Isómeros SMILES: COC1=CC=CC(=C1[N+](=O)[O-])N
• Peso molecular: 168.15
• Reaxy-Rn: 2693715
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2693715&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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 Organic zwitterions Organic salts 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 - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 168.150 g/mol
• XLogP3: 1.600
• 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

Preguntas frecuentes

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.

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 16554-47-5, the molecular formula is C7H8N2O3, and the molecular weight is 168.15 g/mol. InChIKey RITQAMSEQYWFML-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.