The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
5-(Chloromethyl)picolinonitrile hydrochloride - 97%, high purity , CAS No.1225380-31-3
Discover 5-(Chloromethyl)picolinonitrile hydrochloride by Aladdin Scientific in 97% for only $139.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1225380-31-3 | 5-(Chloromethyl)picolinonitrile hydrochloride | 5-(Chloromethyl)pyridine-2-carbonitrile hydrochloride | 5-(chloromethyl)-2-Pyridinecarbonitrile hydrochloride | 5-(chloromethyl)pyridine-2-carbonitrile;hydrochloride | 2-Pyridinecarbonitrile, 5-(chlorom
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridines and derivatives
Alternative Parents
Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
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.
Names and Identifiers
IUPAC Name
5-(chloromethyl)pyridine-2-carbonitrile;hydrochloride
INCHI
InChI=1S/C7H5ClN2.ClH/c8-3-6-1-2-7(4-9)10-5-6;/h1-2,5H,3H2;1H
InChIKey
ZFJZMAXHJRENOK-UHFFFAOYSA-N
Smiles
C1=CC(=NC=C1CCl)C#N.Cl
Isomeric SMILES
C1=CC(=NC=C1CCl)C#N.Cl
Molecular Weight
189.04
Reaxy-Rn
22001594
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22001594&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
189.040 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
187.991 Da
Monoisotopic Mass
187.991 Da
Topological Polar Surface Area
36.700 Ų
Heavy Atom Count
11
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
2
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
