4,4'-Dinitrobibenzyl - ≥95% , CAS No.736-30-1

CAS: 736-30-1 Cat. No.: B1073260 分子式: C₁₄H₁₂N₂O₄ 分子量: 272.26 EC番号: 212-001-5 PubChem CID: 69776

GRADE & PURITY ≥95%

Synonyms

1,1’-(1,2-ethanediyl)bis(4-nitro-benzen | 1,1’-(1,2-ethanediyl)bis(4-nitrobenzene) | 1,1’-(1,2-ethanediyl)bis(4-nitrobenzene) | 1,1’-(1,2-ethanediyl)bis[4-nitro-benzen | 1,2-Bis(4-nitrophenyl)ethane | 1,2-Ethanediylbis(4-nitrobenzene) | 1-Nitro-4-[2-(4-ni

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

同義語

1,1’-(1,2-ethanediyl)bis(4-nitro-benzen | 1,1’-(1,2-ethanediyl)bis(4-nitrobenzene) | 1,1’-(1,2-ethanediyl)bis(4-nitrobenzene) | 1,1’-(1,2-ethanediyl)bis[4-nitro-benzen | 1,2-Bis(4-nitrophenyl)ethane | 1,2-Ethanediylbis(4-nitrobenzene) | 1-Nitro-4-[2-(4-ni

仕様と純度

≥95%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1=CC(=CC=C1CCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: 1-nitro-4-[2-(4-nitrophenyl)ethyl]benzene
• InChIKey: BSNKHEKTRWNNAC-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2
• 異性体SMILES: C1=CC(=CC=C1CCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• PubChem CID: 69776
• 分子量: 272.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• 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: Stilbene - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - 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 oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: stilbenoid

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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 272.260 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 272.08 Da
• Monoisotopic Mass: 272.08 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 300.000
• 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

よくある質問

What documentation is provided?

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