chempirical

Picolyl chloride hydrochloride

C6H7Cl2NCAS 6959-47-3164.03 g/mol

Open in Covalent MOL file
HClClN
Alkyl halide

Properties

Molecular formula
C6H7Cl2N
Molar mass
164.03 g/mol
Exact mass
162.9956 Da
Melting point
166–173 °C
Water solubility
≥ 100 g/L (22.2 °C)
logP
2.24Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
6959-47-3
SMILES
Cl.ClCc1ccccn1
InChIKey
JPMRGPPMXHGKRO-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H

Weigh it out

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

Names and synonyms

9 names
  • Pyridine, 2-(chloromethyl)-, hydrochloride (1:1)
  • Pyridine, 2-(chloromethyl)-, hydrochloride
  • 2-Picolyl chloride hydrochloride
  • 2-(Chloromethyl)pyridine hydrochloride
  • 2-Pyridylmethyl chloride hydrochloride
  • 2-Chloromethylpyridine hydrochloride salt
  • 2-Chloromethylpyridine chlorohydrate
  • (Pyridin-2-yl)methyl chloride hydrochloride
  • 2-Chloromethylpridine hydrochloride

Work with Picolyl chloride hydrochloride

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-Chloromethylpyridine4377-33-7Free base

Similar compounds

2-(Chloromethyl)pyrimidine hydrochloride936643-80-054 % similar Betahistine dihydrochloride5579-84-050 % similar 2-Pyridylacetic acid hydrochloride16179-97-849 % similar 6-Chloromethyl-2-methylpyridinium chloride3099-30-748 % similar 2-(Methoxymethyl)pyridine23579-92-248 % similar 2-Ethylpyridine100-71-048 % similar Dipicolylamine1539-42-048 % similar 2-Pyridinemethanethiol2044-73-748 % similar

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

Same formula

o-Chloroaniline hydrochloride137-04-2 3-Chloroaniline hydrochloride141-85-5 4-Picolyl chloride hydrochloride1822-51-1 4-Chloro-3-methylpyridine hydrochloride19524-08-4 4-Chloroaniline hydrochloride20265-96-7 3-(Chloromethyl)pyridine hydrochloride6959-48-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook