Nitrosobenzene(NOB) - ≥98%(GC) , CAS No.586-96-9

CAS: 586-96-9 Cat. No.: N159156 分子式: C₆H₅NO 分子量: 107.11 Beilstein Registry Number: 605688 EC番号: 209-591-1

グレード＆純度 ≥98%(GC)

Synonyms

NOB|keto-aniline|NITROSOBENZENE|nitroso-benzene|Benzene, nitroso-|Nitrosobenzene (Substrate 1)|nitroso benzene|NITROSOBENZENE [MI]

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

Nitrosobenzene is a spin trap reagent. It has been used in the study of oxidative DNA damage and nitroso-compound-induced respiratory burst in neutrophils.

仕様

同義語

NOB | keto-aniline | NITROSOBENZENE | nitroso-benzene | Benzene, nitroso- | Nitrosobenzene (Substrate 1) | nitroso benzene | NITROSOBENZENE [MI]

仕様と純度

≥98%(GC)

保管条件

Store at 2-8°C,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

≥98%(GC)

名前と識別子

パブケム・シド

504752134

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752134

カノニカル・スマイル

C1=CC=C(C=C1)N=O

IUPAC Name

nitrosobenzene

InChIKey

NLRKCXQQSUWLCH-UHFFFAOYSA-N

INCHI

1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H

異性体SMILES

C1=CC=C(C=C1)N=O

WGKドイツ

3

RTECS

DA6497525

UN番号

2811

包装グループ

III

分子量

107.11

Beilstein

605688

Reaxy-Rn

605688

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605688&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds C-nitroso compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic nitroso compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - C-nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in chloroform (100 mg/ml), toluene, ethanol, and ether. Insoluble in water.
• 感度: Heat & Light & Air sensitive
• 沸点（°C）: 57 °C/18 mmHg
• 融点（°C）: 66 °C
• 分子量: 107.110 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 107.037 Da
• Monoisotopic Mass: 107.037 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.600
• 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 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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 586-96-9, the molecular formula is C6H5NO, and the molecular weight is 107.11 g/mol. InChIKey NLRKCXQQSUWLCH-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.