4-Nitroanisole - ≥98% , CAS No.100-17-4

CAS: 100-17-4 Cat. No.: N105584 Fórmula: C₇H₇NO₃ Peso molecular: 153.14 Beilstein Registry Number: 1865361 Número CE: 202-825-3

GRAU & PUREZA ≥98%

Synonyms

AB01095048-03 | DTXSID9059208 | SCHEMBL14406394 | UNII-G989Z7WOLH | WLN: WNR DO1 | Benzene, 1-methoxy-4-nitro- | NITROANISOLE, P- | p-Nitroanisol | Anisole, p-nitro- | NCGC00340123-01 | 1-Methoxy-4-nitrobenzene | 1-methoxy-4-nitro-benzene | AI3-00189 | P-

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Visão geral

4-Nitroanisole undergoes photochemical nucleophilic aromatic substitution by hydroxide ion to form 4-methoxyphenol and 4-nitrophenol.

Especificações

Sinónimos

AB01095048-03 | DTXSID9059208 | SCHEMBL14406394 | UNII-G989Z7WOLH | WLN: WNR DO1 | Benzene, 1-methoxy-4-nitro- | NITROANISOLE, P- | p-Nitroanisol | Anisole, p-nitro- | NCGC00340123-01 | 1-Methoxy-4-nitrobenzene | 1-methoxy-4-nitro-benzene | AI3-00189 | P-

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

4-Nitroanisole is O-demethylated to 4-nitrophenol by human liver microsomes

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

FedEx DG Service

Pureza

≥98%

Product Line

N105584-25g

Nomes e identificadores

Pubchem Sid

488180457

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180457

Sorrisos canónicos

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

IUPAC Name

1-methoxy-4-nitrobenzene

InChIKey

BNUHAJGCKIQFGE-UHFFFAOYSA-N

INCHI

1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

SMILES isoméricas

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

WGK Alemanha

1

RTECS

BZ8800000

Número UN

2730(liquid)3458(solid)

Grupo de embalagem

III

Peso molecular

153.14

Beilstein

1865361

Reaxy-Rn

1865361

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1865361&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: 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: Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - 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 - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: 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: 4-nitroanisoles

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

Alvos associados (humanos)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Salmonella typhimurium (15756 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, soluble in most organic solvents such as ethanol and ether.
• Ponto de inflamação (°F): 266 °F
• Ponto de inflamação (°C): 130℃
• Ponto de ebulição (°C): 274°C
• Ponto de fusão (°C): 54°C
• Peso molecular: 153.140 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 135.000
• 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