4-Nitro-p-terphenyl - ≥95% , CAS No.10355-53-0

CAS: 10355-53-0 Cat. No.: N121416 Formula: C₁₈H₁₃NO₂ Peso molecolare: 275.31 Numero EC: 233-775-0

GRADE & PURITY ≥95%

Synonyms

NSC 506434 | N0610 | 4-Nitro-(para-terphenyl) | MFCD00044846 | 1,1':4',1''-TERPHENYL, 4-NITRO- | 3-05-00-02299 (Beilstein Handbook Reference) | IMMGNSJGTWWGJB-UHFFFAOYSA-N | AS-59851 | 4-Nitro-p-terphenyl | FT-0636689 | 1,1''-Terphenyl, 4-nitro- | BRN 221

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

NSC 506434 | N0610 | 4-Nitro-(para-terphenyl) | MFCD00044846 | 1,1':4',1''-TERPHENYL, 4-NITRO- | 3-05-00-02299 (Beilstein Handbook Reference) | IMMGNSJGTWWGJB-UHFFFAOYSA-N | AS-59851 | 4-Nitro-p-terphenyl | FT-0636689 | 1,1''-Terphenyl, 4-nitro- | BRN 221

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504753299

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753299

Sorrisi canonici

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

IUPAC Name

1-(4-nitrophenyl)-4-phenylbenzene

InChIKey

IMMGNSJGTWWGJB-UHFFFAOYSA-N

INCHI

1S/C18H13NO2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H

Isomeri SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

RTECS

WZ6525000

Peso molecolare

275.31

Reaxy-Rn

2217021

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217021&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: P-terphenyls
• Alternative Parents: Biphenyls and derivatives 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: Para-terphenyl - Biphenyl - 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 oxide - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 214 °C
• Peso molecolare: 275.300 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 275.095 Da
• Monoisotopic Mass: 275.095 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 330.000
• 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