Propargyl benzenesulfonate
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Propargyl benzenesulfonate
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CAS No:
6165-75-9
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Formula:
C9H8O3S
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Chemical Name:
Propargyl benzenesulfonate
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Synonyms:
2-Propyn-1-ol,1-benzenesulfonate;2-Propyn-1-ol,benzenesulfonate;2-Propynyl benzenesulfonate;Propargyl phenylsulfonate;Propargyl benzenesulfonate;Propargyl besylate;2-Propyn-1-yl benzenesulfonate
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CAS No:
Characteristics
51.8
1.3
1.2381 g/cm3 @ Temp: 20 °C
178 °C
142-144 °C @ Press: 4 Torr
100.6±0.0 °C
1.548
Safety Information
III
8
UN 1760 8/PG 2
3
R36/37/38
S26-S36
Xi: Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Propargyl benzenesulfonate Use and Manufacturing
Add 1.0mol of propargyl alcohol and 500ml of dichloromethane to the reaction flask respectively, add triethylamine with stirring, then cool down to below 15 °C, start adding 2.1mol of benzenesulfonyl chloride, drop, return to room temperature and continue stirring for 1h, then The temperature was raised to reflux and the reaction was continued for 2 hours. After the gas phase detection reaction was completed, the mixture was subjected to ice-clearing, layered, and concentrated to give a crude product which was then recrystallized to yield 187.77 g of pure product. The calculated yield was 95.8percent.The purity was 99.93percent, the moisture content was 28 ppm, the acid value was 36 ppm
2-Propyn-1-ol, 1-benzenesulfonate: ACTIVE
Computed Properties
Molecular Weight:196.22
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:196.01941529
Monoisotopic Mass:196.01941529
Topological Polar Surface Area:51.8
Heavy Atom Count:13
Complexity:285
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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