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4-(chloromethyl)-3-methylpyridine hydrochloride - 97%, high purity , CAS No.117934-36-8
Discover 4-(chloromethyl)-3-methylpyridine hydrochloride by Aladdin Scientific in 97% for only $568.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(Chloromethyl)-3-methylpyridine hydrochloride | 117934-36-8 | 4-(CHLOROMETHYL)-3-METHYLPYRIDINE HCL | 4-(chloromethyl)-3-methylpyridine;hydrochloride | MFCD20527162 | SCHEMBL20475309 | AKOS030254157 | SB19862 | AS-50996 | SY099763 | 4-Chloromethyl-3-methylpyridine hydrochl
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Methylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Methylpyridines
Alternative Parents
Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methylpyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - 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 methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
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
4-(chloromethyl)-3-methylpyridine;hydrochloride
INCHI
InChI=1S/C7H8ClN.ClH/c1-6-5-9-3-2-7(6)4-8;/h2-3,5H,4H2,1H3;1H
InChIKey
ACAQSRMVBOXHLG-UHFFFAOYSA-N
Smiles
CC1=C(C=CN=C1)CCl.Cl
Isomeric SMILES
CC1=C(C=CN=C1)CCl.Cl
PubChem CID
121237799
Molecular Weight
178.06
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
178.060 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
177.011 Da
Monoisotopic Mass
177.011 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
85.000
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
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