Isobutyl Nitrite - ≥95%(GC) , CAS No.542-56-3

CAS: 542-56-3 Cat. No.: I157486 分子式: C₄H₉NO₂ 分子量: 103.12 Beilstein Registry Number: 1377 EC番号: 208-819-7

グレード＆純度 ≥95%(GC)

Synonyms

AKOS015915458 | CCRIS 1099 | CHEBI:46643 | Q1151479 | ?Isobutylnitrite | ISOBUTYL NITRITE | iso-butyl nitrite | ISOBUTYL NITRITE [IARC] | ISOBUTYL NITRITE [MART.] | NCGC00091558-02 | ISOBUTYL NITRITE [MI] | UNII-GW9WAB6QOM | isobutyl nitrite ( | EN300-120

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

概要

Usually used to study inhalant-induced immunotoxicity.

仕様

同義語

AKOS015915458 | CCRIS 1099 | CHEBI:46643 | Q1151479 | ?Isobutylnitrite | ISOBUTYL NITRITE | iso-butyl nitrite | ISOBUTYL NITRITE [IARC] | ISOBUTYL NITRITE [MART.] | NCGC00091558-02 | ISOBUTYL NITRITE [MI] | UNII-GW9WAB6QOM | isobutyl nitrite ( | EN300-120

仕様と純度

≥95%(GC)

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice,FedEx DG Service

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

≥95%(GC)

名前と識別子

パブケム・シド

488181234

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181234

カノニカル・スマイル

CC(C)CON=O

IUPAC Name

2-methylpropyl nitrite

InChIKey

APNSGVMLAYLYCT-UHFFFAOYSA-N

INCHI

1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3

異性体SMILES

CC(C)CON=O

WGKドイツ

3

RTECS

RA0805000

UN番号

1992

包装グループ

I

分子量

103.12

Beilstein

1377

Reaxy-Rn

1699518

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699518&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Organic nitroso compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Organic nitroso compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic O-nitroso compounds
• Alternative Parents: Alkyl nitrites Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic o-nitroso compound - Alkyl nitrite - Organic nitrite - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organic o-nitroso compounds. These are organic compounds containing a n-nitroso group -ON=O.
• External Descriptors: nitrite esters

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）

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

関連ターゲット（非人間）

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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: Solubility in water: Decomposes in contact with water,Practically insoluble; Miscible with Alcohol
• 感度: Light Sensitive,Moisture Sensitive,Heat Sensitive
• 屈折率: 1.37
• 引火点（°F）: -5.8 °F
• 引火点（°C）: -21 °C
• 沸点（°C）: 67 °C
• 分子量: 103.120 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 53.700
• 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

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

This product is supplied at ≥95% 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, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 542-56-3, the molecular formula is C4H9NO2, and the molecular weight is 103.12 g/mol. InChIKey APNSGVMLAYLYCT-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.