Bromoacetonitrile - ≥97% , CAS No.590-17-0

CAS: 590-17-0 Cat. No.: B104455 分子式: C₂H₂NBr 分子量: 119.95 Beilstein Registry Number: 956569 EC番号: 209-672-1

グレード＆純度 ≥97%

Synonyms

J-519939 | Cyanomethyl bromide | InChI=1/C2H2BrN/c3-1-2-4/h1H | 07K08J16VK | 2-Bromoacetonitrile; Bromoacetonitrile; Bromomethyl cyanide | BROMOACETONITRILE | bromo-acetonitrile | AS-12053 | AMY21970 | B1058 | Bromoacetonitrile, 97% | 4-02-00-00531 (Beils

Storage

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

Shipped In

Wet ice

概要

Bromoacetonitrile was used in the synthesis of 1-cyanomethyl-1,1-dimethylhydrazinium bromide.

仕様

同義語

J-519939 | Cyanomethyl bromide | InChI=1/C2H2BrN/c3-1-2-4/h1H | 07K08J16VK | 2-Bromoacetonitrile; Bromoacetonitrile; Bromomethyl cyanide | BROMOACETONITRILE | bromo-acetonitrile | AS-12053 | AMY21970 | B1058 | Bromoacetonitrile, 97% | 4-02-00-00531 (Beils

仕様と純度

≥97%

保管条件

Store at 2-8°C,Protected from light,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

≥97%

名前と識別子

パブケム・シド

508814521

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508814521

カノニカル・スマイル

C(C#N)Br

IUPAC Name

2-bromoacetonitrile

InChIKey

REXUYBKPWIPONM-UHFFFAOYSA-N

INCHI

1S/C2H2BrN/c3-1-2-4/h1H2

異性体SMILES

C(C#N)Br

WGKドイツ

3

RTECS

AL7970000

UN番号

3276

包装グループ

I

分子量

119.95

Beilstein

956569

Reaxy-Rn

956569

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956569&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

関連ターゲット（人間）

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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: Insoluble in water.
• 感度: Light sensitive.;Moisture sensitive
• 屈折率: 1.4786-1.4806
• 引火点（°F）: 230 °F
• 引火点（°C）: >110°C
• 沸点（°C）: 150 °C
• 分子量: 119.950 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 118.937 Da
• Monoisotopic Mass: 118.937 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 41.200
• 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