Cyanogen bromide - 4.5 M in acetonitrile , CAS No.506-68-3

CAS: 506-68-3 Cat. No.: C131588 Formula: BrCN Molecular Weight: 105.92 Beilstein Registry Number: 1697296 EC Number: 208-051-2

GRADE & PURITY 4.5 M in acetonitrile

Synonyms

CYANOGEN BROMIDE [HSDB] | FT-0665252 | NCGC00356964-01 | UN1889 | RCRA waste number U246 | Bromine cyanide (BrCN) | AI3-28715 | Bromocyanogen | Bromine cyanide | Cyanogen bromide, reagent grade, 97% | Q420258 | Bromine cyanide(BrCN) | DTXCID601550 | UN 18

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

Product Application：

Cyanogen bromide (CNBr) solution may be used in the cyanogen bromide method for covalent immobilization of trypsin onto poly(2-hydroxyethyl methacrylate)/ polystyrene composite microspheres. It may be used in the preparation of CNBr-activated diol-silica, useful as silica support in HPLC.

Specifications

Synonyms

CYANOGEN BROMIDE [HSDB] | FT-0665252 | NCGC00356964-01 | UN1889 | RCRA waste number U246 | Bromine cyanide (BrCN) | AI3-28715 | Bromocyanogen | Bromine cyanide | Cyanogen bromide, reagent grade, 97% | Q420258 | Bromine cyanide(BrCN) | DTXCID601550 | UN 18

Specifications & Purity

4.5 M in acetonitrile

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

508814547

Canonical Smiles

C(#N)Br

IUPAC Name

carbononitridic bromide

InChIKey

ATDGTVJJHBUTRL-UHFFFAOYSA-N

INCHI

1S/CBrN/c2-1-3

Isomeric SMILES

C(#N)Br

WGK Germany

3

UN Number

1889

Packing Group

I

Molecular Weight

105.92

Beilstein

1697296

Reaxy-Rn

1697296

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697296&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Organic cyanides
        • Level5 Nitriles
          • Level6 Cyanogens

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Nitriles
• Direct Parent: Cyanogens
• Alternative Parents: Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Cyanogen - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as cyanogens. These are organonitrogen compounds of the form NC-CN or X-CN, where X is a halogen.
• 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

Chemical and Physical Properties

• Solubility: alcohol: freely soluble diethyl ether: freely soluble water: freely soluble
• Sensitivity: Moisture sensitive;light sensitive;heat sensitive;Air sensitive
• Boil Point(°C): 61.5°C
• Melt Point(°C): 52°C
• Molecular Weight: 105.920 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 104.921 Da
• Monoisotopic Mass: 104.921 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 31.300
• 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