(4-METHOXY-PHENYL)-(4-NITRO-PHENYL)-METHANONE - ≥97% , CAS No.1151-94-6

CAS: 1151-94-6 Cat. No.: M166136 Formula: C₁₄H₁₁NO₄ Molecular Weight: 257.248 EC Number: 681-293-8

GRADE & PURITY ≥97%

Synonyms

MFCD00178348 | NSC406625 | NSC-406625 | Oprea1_492845 | 4-Methoxy-4?-nitrobenzophenone | AKOS001588368 | 4-Methoxy-4'-nitrobenzophenone | AS-66433 | CCG-40606 | FT-0633407 | EU-0033558 | Oprea1_310309 | 4-Methoxy-4/'-nitrobenzophenone | A803386 | SCHEMBL4

Storage

Room temperature

Shipped In

Normal

Overview

Application：

4-Methoxy-4'-nitrobenzophenone is used as an organic chemical synthesis intermediate.

Specifications

Synonyms

MFCD00178348 | NSC406625 | NSC-406625 | Oprea1_492845 | 4-Methoxy-4?-nitrobenzophenone | AKOS001588368 | 4-Methoxy-4'-nitrobenzophenone | AS-66433 | CCG-40606 | FT-0633407 | EU-0033558 | Oprea1_310309 | 4-Methoxy-4/'-nitrobenzophenone | A803386 | SCHEMBL4

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504758545
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758545
• Canonical Smiles: COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: (4-methoxyphenyl)-(4-nitrophenyl)methanone
• InChIKey: DXVSAELNVPXMSQ-UHFFFAOYSA-N
• INCHI: 1S/C14H11NO4/c1-19-13-8-4-11(5-9-13)14(16)10-2-6-12(7-3-10)15(17)18/h2-9H,1H3
• Isomeric SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• Molecular Weight: 257.248
• Reaxy-Rn: 1883820
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1883820&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Aryl-phenylketones Diphenylmethanes Nitrobenzenes Nitroaromatic compounds Methoxybenzenes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Aryl ketone - Phenol ether - Alkyl aryl ether - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Chemical and Physical Properties

• Melt Point(°C): 125-127°C
• Molecular Weight: 257.240 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.069 Da
• Monoisotopic Mass: 257.069 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 323.000
• 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