2-Chloromethyl-3,4-dimethoxypyridinium chloride

C₈H₁₁Cl₂NO₂CAS 72830-09-2224.08 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₁₁Cl₂NO₂
Molar mass: 224.08 g/mol
Exact mass: 223.0167 Da
logP: 2.26Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H315 Causes skin irritationSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H318 Causes serious eye damageSerious eye damage/eye irritation
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

72830-09-2

SMILES

COc1ccnc(CCl)c1OC.Cl

InChIKey

YYRIKJFWBIEEDH-UHFFFAOYSA-N

InChI

InChI=1S/C8H10ClNO2.ClH/c1-11-7-3-4-10-6(5-9)8(7)12-2;/h3-4H,5H2,1-2H3;1H

Weigh it out

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

Names and synonyms

4 names

2-(Chloromethyl)-3,4-dimethoxypyridine hydrochloride
Pyridine, 2-(chloromethyl)-3,4-dimethoxy-, hydrochloride (1:1)
Pyridine, 2-(chloromethyl)-3,4-dimethoxy-, hydrochloride
3,4-Dimethoxy-2-chloromethylpyridine hydrochloride

Work with 2-Chloromethyl-3,4-dimethoxypyridinium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-(Chloromethyl)-3,4-dimethoxypyridine169905-10-6Free base

Similar compounds

2-Chloromethyl-4-methoxy-3-methylpyridine hydrochloride124473-12-770 % similar 3,4-Dimethoxy-2-pyridinemethanol72830-08-159 % similar 2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride153259-31-549 % similar 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride86604-75-349 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride127337-60-447 % similar 1-(Chloromethyl)-2,3-dimethoxybenzene3893-01-446 % similar 2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine117977-20-543 % similar 3,4,5-Trimethoxybenzyl chloride3840-30-042 % similar

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

Elsewhere

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