Cyanomethyl benzenesulfonate
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Cyanomethyl benzenesulfonate
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CAS No:
10531-13-2
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Formula:
C8H7NO3S
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Chemical Name:
Cyanomethyl benzenesulfonate
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Synonyms:
Acetonitrile,2-[(phenylsulfonyl)oxy]-;Glycolonitrile,benzenesulfonate (ester);Acetonitrile,[(phenylsulfonyl)oxy]-;Glycolonitrile,benzenesulfonate;2-[(Phenylsulfonyl)oxy]acetonitrile;Cyanomethyl benzenesulfonate;(Phenylsulfonyloxy)ethanenitrile;2-[(Benzenesulfonyl)oxy]acetonitrile
- Categories:
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CAS No:
Characteristics
75.5
1.99628
1.309 g/mL at 25 °C(lit.)
32-33 °C
147.5-148 °C @ Press: 1 Torr
>230 °F
n 20/D 1.523(lit.)
Safety Information
III
8
UN 1760 8/PG 2
3
20/21/22-34
26-27-36/37/39
Xn
P280-P305 + P351 + P338-P310
H302 + H312 + H332-H314
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:197.21
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:197.01466426
Monoisotopic Mass:197.01466426
Topological Polar Surface Area:75.5
Heavy Atom Count:13
Complexity:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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