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3,5-Dinitro-1,1'-biphenyl - ≥97% , CAS No.56813-80-0

3,5-Dinitro-1,1'-biphenyl - ≥97% , CAS No.56813-80-0

Name: 3,5-Dinitro-1,1'-biphenyl - ≥97% , CAS No.56813-80-0
SKU: D976659
Availability: InStock

CAS: 56813-80-0 Cat. No.: D976659 Formula: C₁₂H₈N₂O₄ Peso molecolare: 244.2 PubChem CID: 151359

COA

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3,5-Dinitro-1,1'-biphenyl - ≥97% CAS No(56813-80-0) by Aladdin Scientific

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Disponibile su ordine

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

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

IUPAC Name

1,3-dinitro-5-phenylbenzene

InChIKey

CMZJLRGGVLHBMW-UHFFFAOYSA-N

INCHI

1S/C12H8N2O4/c15-13(16)11-6-10(7-12(8-11)14(17)18)9-4-2-1-3-5-9/h1-8H

Isomeri SMILES

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

PubChem CID

151359

Peso molecolare

244.2

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
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	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 nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors	Not available
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

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Proprietà chimiche e fisiche

Peso molecolare	244.200 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	244.048 Da
Monoisotopic Mass	244.048 Da
Topological Polar Surface Area	91.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	295.000
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

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