Skip to the beginning of the images gallery

5-(Bromomethyl)nicotinonitrile - ≥97%, high purity , CAS No.1211530-54-9

COA

Grade & Purity:

≥97%

Cas Number: 1211530-54-9
Molecular Weight: 197.03
MDL number: MFCD18262164
PubChem CID: 57475499

In stock

Item Number

N768566

Grouped product items
SKU	Size	Availability	Price	Qty
N768566-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$222.90
N768566-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$690.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass 3-pyridinecarbonitriles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	3-pyridinecarbonitriles
Intermediate Tree Nodes	Not available
Direct Parent	3-pyridinecarbonitriles
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridinecarbonitrile - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	5-(bromomethyl)pyridine-3-carbonitrile
INCHI	InChI=1S/C7H5BrN2/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H,2H2
InChIKey	IUHPOQYVQPBUBT-UHFFFAOYSA-N
Smiles	C1=C(C=NC=C1C#N)CBr
Isomeric SMILES	C1=C(C=NC=C1C#N)CBr
PubChem CID	57475499
Molecular Weight	197.03

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	197.030 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	195.964 Da
Monoisotopic Mass	195.964 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	149.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration