2-Nitrobiphenyl - ≥98%(GC) , CAS No.86-00-0

CAS: 86-00-0 Cat. No.: N134871 Summenformel: C₁₂H₉NO₂ Molekulargewicht: 199.21 Beilstein Registry Number: 5582 EG-Nummer: 201-646-8

GRADE & PURITY ≥98%(GC)

Synonyms

2-Nitro-1,1'-biphenyl | DTXCID505746 | mononitrobiphenyl | ONB | W-104071 | WLN: WNR BR | AKOS015833476 | CP 368 | AC-19053 | DTXSID9025746 | EINECS 201-646-8 | NSC5532 | NSC-5532 | o-Nitrophenyl benzene | MFCD00007126 | N0194 | 2-NITRODIPHENYL-D9 | NCGC0

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

2-Nitro-1,1'-biphenyl | DTXCID505746 | mononitrobiphenyl | ONB | W-104071 | WLN: WNR BR | AKOS015833476 | CP 368 | AC-19053 | DTXSID9025746 | EINECS 201-646-8 | NSC5532 | NSC-5532 | o-Nitrophenyl benzene | MFCD00007126 | N0194 | 2-NITRODIPHENYL-D9 | NCGC0

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504751181
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751181
• Kanonisches Lächeln: C1=CC=C(C=C1)C2=CC=CC=C2[N+](=O)[O-]
• IUPAC Name: 1-nitro-2-phenylbenzene
• InChIKey: YOJKKXRJMXIKSR-UHFFFAOYSA-N
• INCHI: 1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
• Isomere SMILES: C1=CC=C(C=C1)C2=CC=CC=C2[N+](=O)[O-]
• RTECS: DV5530000
• Molekulargewicht: 199.21
• Beilstein: 5582
• Reaxy-Rn: 1818699
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1818699&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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

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KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Soluble in Acetone,Dimethylformamide,Methanol,Ethanol
• Brechungsindex: 1.613-1.615
• Flammpunkt (°F): 179°C
• Flammpunkt (°C): 179°C
• Siedepunkt (°C): 170°C
• Schmelzpunkt (°C): 36-38℃
• Molekulargewicht: 199.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.063 Da
• Monoisotopic Mass: 199.063 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 218.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 86-00-0, the molecular formula is C12H9NO2, and the molecular weight is 199.21 g/mol. InChIKey YOJKKXRJMXIKSR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.