Nitrobenzene - Premium-Grade Reagents, ≥99% , CAS No.98-95-3

CAS: 98-95-3 Cat. No.: N116217 Summenformel: C₆H₅NO₂ Molekulargewicht: 123.11 Beilstein Registry Number: 507540 EG-Nummer: 202-716-0

GRADE & PURITY Premium-Grade Reagents, ≥99%

Synonyms

Nitrobenzene 100 microg/mL in Methanol | Tox21_201750 | NITROBENZENE | nitro-Benzene | NCGC00259299-01 | Nitrobenzene, p.a., ACS reagent, 99.0% | N0758 | Nitrobenzene [UN1662] [Poison] | STL282724 | bmse000676 | E57JCN6SSY | NSC 9573 | EPA Pesticide Chem

Storage

Room temperature

Shipped In

FedEx DG Service

Übersicht

Nitrobenzol ist eine organische Verbindung, die als Standard für den Nachweis und die Analyse sowie für die Entfernung von Nitrobenzol aus der Umwelt verwendet wird. Die zytotoxischen Wirkungen der Verbindung wurden an einer Hepatokarzinom-Zelllinie untersucht.

Specifications

Synonyme

Nitrobenzene 100 microg/mL in Methanol | Tox21_201750 | NITROBENZENE | nitro-Benzene | NCGC00259299-01 | Nitrobenzene, p.a., ACS reagent, 99.0% | N0758 | Nitrobenzene [UN1662] [Poison] | STL282724 | bmse000676 | E57JCN6SSY | NSC 9573 | EPA Pesticide Chem

Spezifikationen & Reinheit

Premium-Grade Reagents, ≥99%

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Premium-Grade Reagents

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

nitrobenzene

InChIKey

LQNUZADURLCDLV-UHFFFAOYSA-N

INCHI

1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

Isomere SMILES

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

WGK Deutschland

2

RTECS

DA6475000

UN-Nummer

1662

Verpackungsgruppe

II

Molekulargewicht

123.11

Beilstein

507540

Reaxy-Rn

507540

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507540&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: 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: Nitrobenzene - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: an aromatic compound

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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ALB Tchem Serum albumin (2651 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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GSR Tclin Glutathione reductase (335 Activities)

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HepG2 (196354 Activities)

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Salmonella typhimurium (15756 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Lithobates pipiens (29 Activities)

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Rattus norvegicus (775804 Activities)

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E Lysozyme (95 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Brechungsindex: 1.5529
• Flammpunkt (°C): 88℃
• Siedepunkt (°C): 210-211°C
• Schmelzpunkt (°C): 6°C
• Molekulargewicht: 123.110 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 123.032 Da
• Monoisotopic Mass: 123.032 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 102.000
• 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