4-Picolyl chloride hydrochloride
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4-Picolyl chloride hydrochloride
structure -
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CAS No:
1822-51-1
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Formula:
C6H6ClN.ClH
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Chemical Name:
4-Picolyl chloride hydrochloride
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Synonyms:
Pyridine,4-(chloromethyl)-,hydrochloride (1:1);Pyridine,4-(chloromethyl)-,hydrochloride;4-Picolyl chloride hydrochloride;4-(Chloromethyl)pyridine hydrochloride;4-(Chloromethyl)pyridinium chloride;4-Pyridylmethyl chloride hydrochloride;4-Chloromethylpyridine hydrochloride salt
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CAS No:
4-Picolyl chloride hydrochloride Basic Attributes
164.03
162.995560
3689154
217-350-7
66483
DTXSID00171264
29333999
Characteristics
12.9
Yellow to orange Fine Crystalline Powder
165-166 °C
102ºC
1.53
750 g/L (20 ºC)
2-8°C
Safety Information
III
8
UN 3261 8/PG 3
3
34-4-22-36/37/38
26-36/37/39-45-36
C,Xi
Corrosive
P280-P305 + P351 + P338-P310
H314
|Danger|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Picolyl chloride hydrochloride Use and Manufacturing
4-Chloromethylpyridine Hydrochloride (21); EMI35.0[0161] 4-Hydroxymethylpyridine (20) (54.4 g, 0.50 mol) was dissolved in acetonitrile 202 ml. The solution was added dropwise to a mixture of thionyl chloride (65.3 g, 0.55 mol) and acetonitrile (109 ml) under 50[deg.] C. The mixture was stirred at the same temperature for 1 hour, then cooled to room temperature to yield a slurry (quantitative) of the objective (21). [0162] <1>H-NMR (DMSO-TMS) [delta] ppm: 5.09 (s, 2H), 8.09 (d, J=6.6 Hz, 2H), 8.94 (d, J=6.6 Hz, 2H).(i)
Computed Properties
Molecular Weight:164.03
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:162.9955546
Monoisotopic Mass:162.9955546
Topological Polar Surface Area:12.9
Heavy Atom Count:9
Complexity:59.5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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4-Picolyl chloride hydrochloride
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