4,4'-Dinitrodiphenylmethane - ≥99%(HPLC) , CAS No.1817-74-9

CAS: 1817-74-9 Cat. No.: D155728 分子式: C₁₃H₁₀N₂O₄ 分子量: 258.23 EC番号: 217-330-8

GRADE & PURITY ≥99%(HPLC)

Synonyms

FT-0696307 | 1-nitro-4-[(4-nitrophenyl)methyl]benzene | STK396590 | 1,1'-methanediylbis(4-nitrobenzene) | T70458 | 4,4'-Dinitrodiphenylmethane | SY112056 | Benzene, 1,1'-methylenebis*4-nitro- | Hydroxy(4-(4-(hydroxy(oxido)amino)benzyl)phenyl)azane oxide |

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

FT-0696307 | 1-nitro-4-[(4-nitrophenyl)methyl]benzene | STK396590 | 1,1'-methanediylbis(4-nitrobenzene) | T70458 | 4,4'-Dinitrodiphenylmethane | SY112056 | Benzene, 1,1'-methylenebis*4-nitro- | Hydroxy(4-(4-(hydroxy(oxido)amino)benzyl)phenyl)azane oxide |

仕様と純度

≥99%(HPLC)

保管条件

Room temperature

入荷

Normal

純度

≥99%(HPLC)

名前と識別子

パブケム・シド

488182172

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182172

カノニカル・スマイル

C1=CC(=CC=C1CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

IUPAC Name

1-nitro-4-[(4-nitrophenyl)methyl]benzene

InChIKey

GLBZQZXDUTUCGK-UHFFFAOYSA-N

INCHI

1S/C13H10N2O4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(18)19/h1-8H,9H2

異性体SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

分子量

258.23

Reaxy-Rn

1887078

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1887078&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Nitrobenzene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by 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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 190 °C
• 分子量: 258.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 258.064 Da
• Monoisotopic Mass: 258.064 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 289.000
• 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