4-Methoxy-3-nitrobiphenyl - ≥97% , CAS No.15854-73-6

CAS: 15854-73-6 Cat. No.: M157894 Fórmula: C₁₃H₁₁NO₃ Peso molecular: 229.24 Número CE: 605-152-7

GRADE & PURITY ≥97%

Synonyms

AKOS003267425 | EC 605-152-7 | MFCD00191554 | DTXSID90346808 | HVYOIIIEAVPMCR-UHFFFAOYSA- | D91453 | 4-Methoxy-3-nitro-1,1'-biphenyl | InChI=1/C13H11NO3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3 | 2-Nitro-4-phenylanisole | 4-Methoxy-3-nit

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS003267425 | EC 605-152-7 | MFCD00191554 | DTXSID90346808 | HVYOIIIEAVPMCR-UHFFFAOYSA- | D91453 | 4-Methoxy-3-nitro-1,1'-biphenyl | InChI=1/C13H11NO3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3 | 2-Nitro-4-phenylanisole | 4-Methoxy-3-nit

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488190754

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190754

Sorrisos canónicos

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

IUPAC Name

1-methoxy-2-nitro-4-phenylbenzene

InChIKey

HVYOIIIEAVPMCR-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

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

Peso molecular

229.24

Reaxy-Rn

2531513

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2531513&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: Nitrophenyl ethers Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - 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 - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 89 °C
• Peso molecular: 229.230 g/mol
• XLogP3: 3.500
• 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: 258.000
• 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