4-Methylbenzenesulfonyl cyanide
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4-Methylbenzenesulfonyl cyanide
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CAS No:
19158-51-1
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Formula:
C8H7NO2S
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Chemical Name:
4-Methylbenzenesulfonyl cyanide
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Synonyms:
Benzenesulfonyl cyanide,4-methyl-;p-Toluenesulfonyl cyanide;4-Methylbenzenesulfonyl cyanide;Tosyl cyanide;p-Tolylsulfonyl cyanide;4-Toluenesulfonyl cyanide;(4-Methylphenyl)sulfonylformonitrile
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CAS No:
Characteristics
66.3
1.28
1.3055 (rough estimate)
46-48 °C
105-106 °C1 mm Hg(lit.)
>230 °F
1.5650 (estimate)
2-8°C
Safety Information
III
8
UN 3261 8/PG 2
3
20/21-34
26-27-28-36/37/39-45
C
P280-P305 + P351 + P338-P310
H312 + H332-H314
|Danger|H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Methylbenzenesulfonyl cyanide Use and Manufacturing
Used in a free-radical cyanation of B-alkylcatecholboranes.1 Also used as a component in a hetero-Diels-Alder reaction with 1,3-bis-silyl enol ethers leading to 4-hyroxypyridines.2
Computed Properties
Molecular Weight:181.21
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:181.01974964
Monoisotopic Mass:181.01974964
Topological Polar Surface Area:66.3
Heavy Atom Count:12
Complexity:285
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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