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

CAS: 590-17-0 Cat. No.: B104455 Formule: C₂H₂NBr Poids moléculaire: 119.95 Beilstein Registry Number: 956569 Numéro CE: 209-672-1

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508814521

Pubchem Sid Url

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

Sourires canoniques

C(C#N)Br

IUPAC Name

2-bromoacetonitrile

InChIKey

REXUYBKPWIPONM-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C(C#N)Br

WGK Allemagne

3

RTECS

AL7970000

Numéro ONU

3276

Groupe d'emballage

I

Poids moléculaire

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
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Sensibilité: Light sensitive.;Moisture sensitive
• Indice de réfraction: 1.4786-1.4806
• Point d'éclair (°F): 230 °F
• Point d'éclair (°C): >110°C
• Point d'ébullition (°C): 150 °C
• Poids moléculaire: 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