2-(Chloromethyl)quinoline hydrochloride
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2-(Chloromethyl)quinoline hydrochloride
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CAS No:
3747-74-8
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Formula:
C10H8ClN.ClH
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Chemical Name:
2-(Chloromethyl)quinoline hydrochloride
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Synonyms:
Quinoline,2-(chloromethyl)-,hydrochloride (1:1);Quinoline,2-(chloromethyl)-,hydrochloride;2-(Chloromethyl)quinoline hydrochloride;2-(Chloromethyl)quinoline monohydrochloride;2-Chloromethylchinoline hydrochloride
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CAS No:
2-(Chloromethyl)quinoline hydrochloride Basic Attributes
214.09
213.011200
3565832
223-145-3
72444
DTXSID30190908
2933499090
Characteristics
12.9
3.77560
Pale yellow to cream or light pink Powder
1.229g/cm3
190-192 °C
288.8°C at 760 mmHg
155.9ºC
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
I; II; III
6.1
NONH for all modes of transport
3
22-38-41-43-36/37/38
26-36/37/39-24/25
Xn,Xi
Stable under normal temperatures and pressures.
P280-P305 + P351 + P338
H302-H315-H317-H318
|Danger|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P333+P313, P362, P363, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-(Chloromethyl)quinoline hydrochloride Use and Manufacturing
Synthesis of N, N, N', N'-tetrakis(2-quinolylmethyl)ethylenediamine (TQEN) A mixture of 2-chloromethylquinoline hydrochloride (1.07 g, 5 mmol), ethylenediamine (7.50 mg, 1.25 mmol), potassium carbonate (2.07 g, 15 mmol) and acetonitrile (10 mL) was refluxed by heating for 48 hours. The solvent was evaporated under reduced pressure, and then the residue was separated by phase separation using chloroform and water. The organic layer was dried, and the solvent was evaporated. The residue was washed with acetone to obtain the objective compound as white powder (0.70 g, 89%). mp 196 to 198 C. 1H NMR (CDCl3) delta (ppm): 2.89 (s, 4H), 3.96 (s, 8H), 7.49-7.54 (m, 8H), 7.66-7.71 (q, 8H), 7.87 (d, 4H), 7.99 (d, 4H) 13C NMR (CDCl3) delta (ppm): 52.58, 61.56, 120.85, 125.95, 127.16, 127.34, 128.88, 129.23, 136.08, 147.40, 160.29 ESI-MS calcd. for C42H37N6 ([M+H]+): 625.3074; Found: 625.3070 Anal. calcd. for C42H36N6: C, 80.61; H, 5.96; N, 13.43, Found: C, 80.69; H, 5.92; N, 13.41
Computed Properties
Molecular Weight:214.09
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:213.0112047
Monoisotopic Mass:213.0112047
Topological Polar Surface Area:12.9
Heavy Atom Count:13
Complexity:149
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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