6-Chloromethyl-2-methylpyridinium chloride

C₇H₉Cl₂NCAS 3099-30-7178.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉Cl₂N
Molar mass: 178.06 g/mol
Exact mass: 177.0112 Da
Melting point: 146–153 °C
logP: 2.55Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals50% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

3099-30-7

SMILES

Cc1cccc(CCl)n1.Cl

InChIKey

QFLPSIUFCCCRMI-UHFFFAOYSA-N

InChI

InChI=1S/C7H8ClN.ClH/c1-6-3-2-4-7(5-8)9-6;/h2-4H,5H2,1H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Pyridine, 2-(chloromethyl)-6-methyl-, hydrochloride (1:1)
Pyridine, 2-(chloromethyl)-6-methyl-, hydrochloride
2-(Chloromethyl)-6-methylpyridine hydrochloride
6-Chloromethyl-2-methylpyridine hydrochloride
2-(Chloromethyl)-6-methylpyridine monohydrochloride

Work with 6-Chloromethyl-2-methylpyridinium chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Bis(chloromethyl)pyridine3099-28-359 % similar 2-(Bromomethyl)-6-methylpyridine68470-59-753 % similar 2-Chloro-6-(chloromethyl)pyridine78846-88-552 % similar 2,6-Lutidine108-48-548 % similar 2-(Chloromethyl)quinoline hydrochloride3747-74-847 % similar 2-Chloro-6-methylpyridine18368-63-345 % similar 4-Chloromethyl-2-methylthiazole hydrochloride77470-53-244 % similar 2-Hydroxy-6-methylpyridine3279-76-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-2-methylaniline hydrochloride3165-93-3 5-Chloro-o-toluidine hydrochloride6259-42-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook