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

CAS: 590-17-0 Cat. No.: B104455 Summenformel: C₂H₂NBr Molekulargewicht: 119.95 Beilstein Registry Number: 956569 EG-Nummer: 209-672-1

GRADE & PURITY ≥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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508814521

Pubchem Sid Url

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

Kanonisches Lächeln

C(C#N)Br

IUPAC Name

2-bromoacetonitrile

InChIKey

REXUYBKPWIPONM-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C(C#N)Br

WGK Deutschland

3

RTECS

AL7970000

UN-Nummer

3276

Verpackungsgruppe

I

Molekulargewicht

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
    • Klasse Organonitrogen compounds
      • Subclass Organic cyanides

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: Light sensitive.;Moisture sensitive
• Brechungsindex: 1.4786-1.4806
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): >110°C
• Siedepunkt (°C): 150 °C
• Molekulargewicht: 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