5-Methoxy-2-nitroaniline - ≥98% , CAS No.16133-49-6

CAS: 16133-49-6 Cat. No.: M121857 Summenformel: C₇H₈N₂O₃ Molekulargewicht: 168.15 Beilstein Registry Number: 13(4)1003 EG-Nummer: 240-293-4

GRADE & PURITY ≥98%

Synonyms

EINECS 240-293-4 | SY018456 | 3-Amino-4-nitroanisole | EN300-67338 | M2054 | FT-0637324 | 5-methoxy-2-nitroaniline | 5-methoxy-2-nitro-aniline | 5Methoxy-2-nitroaniline | SCHEMBL313815 | (5-methoxy-2-nitrophenyl)amine | PS-4460 | DTXSID90167116 | MB00826

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

λmax 366(Cyclohexane)(Lit.)

Specifications

Synonyme

EINECS 240-293-4 | SY018456 | 3-Amino-4-nitroanisole | EN300-67338 | M2054 | FT-0637324 | 5-methoxy-2-nitroaniline | 5-methoxy-2-nitro-aniline | 5Methoxy-2-nitroaniline | SCHEMBL313815 | (5-methoxy-2-nitrophenyl)amine | PS-4460 | DTXSID90167116 | MB00826

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488186311
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186311
• Kanonisches Lächeln: COC1=CC(=C(C=C1)[N+](=O)[O-])N
• IUPAC Name: 5-methoxy-2-nitroaniline
• InChIKey: QEHVRGACCVLLNN-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
• Isomere SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])N
• WGK Deutschland: 3
• Molekulargewicht: 168.15
• Beilstein: 13(4)1003
• Reaxy-Rn: 2692667
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692667&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Methoxyaniline - Aminophenyl ether - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Anisole - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Primary amine - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 132°C
• Molekulargewicht: 168.150 g/mol
• XLogP3: 1.900
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% 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 16133-49-6, the molecular formula is C7H8N2O3, and the molecular weight is 168.15 g/mol. InChIKey QEHVRGACCVLLNN-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.