4-Methoxy-4'-nitrobiphenyl - ≥98%(GC) , CAS No.2143-90-0

CAS: 2143-90-0 Cat. No.: M134357 Formule: C₁₃H₁₁NO₃ Poids moléculaire: 229.24 Beilstein Registry Number: 6(4)4614

GRADE & PURITY ≥98%(GC)

Synonyms

1-(4-methoxyphenyl)-4-nitrobenzene | 1-(4-methoxyphenyl)-4-nitro-benzene | AUIINENVMPWGQF-UHFFFAOYSA-N | 4-Methyoxy-4'-nitrobiphenyl | MFCD00143334 | M0997 | AKOS015851824 | DTXSID30456238 | 4-(4'-Methoxyphenyl)nitrobenzene | 4-(4-methoxyphenyl)nitrobenze

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1-(4-methoxyphenyl)-4-nitrobenzene | 1-(4-methoxyphenyl)-4-nitro-benzene | AUIINENVMPWGQF-UHFFFAOYSA-N | 4-Methyoxy-4'-nitrobiphenyl | MFCD00143334 | M0997 | AKOS015851824 | DTXSID30456238 | 4-(4'-Methoxyphenyl)nitrobenzene | 4-(4-methoxyphenyl)nitrobenze

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488197197

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197197

Sourires canoniques

COC1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

IUPAC Name

1-(4-methoxyphenyl)-4-nitrobenzene

InChIKey

AUIINENVMPWGQF-UHFFFAOYSA-N

INCHI

1S/C13H11NO3/c1-17-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15)16/h2-9H,1H3

Isomères SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Poids moléculaire

229.24

Beilstein

6(4)4614

Reaxy-Rn

1880222

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1880222&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• Point de fusion (°C): 110 °C
• Poids moléculaire: 229.230 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.074 Da
• Monoisotopic Mass: 229.074 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 248.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 2143-90-0, the molecular formula is C13H11NO3, and the molecular weight is 229.24 g/mol. InChIKey AUIINENVMPWGQF-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.