2-Toluenesulfonyl isocyanate
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2-Toluenesulfonyl isocyanate
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CAS No:
32324-19-9
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Formula:
C8H7NO3S
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Chemical Name:
2-Toluenesulfonyl isocyanate
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Synonyms:
O-TOLUENESULFONYL ISOCYANATE;2-TOLUENESULFONYL ISOCYANATE;2-METHYLBENZENESULFONYL ISOCYANATE;2-Methylbenesulfonylisocyanate;o-Toluenesulfonyl;U-TOLUENESULFONYL ISOCYANATE;o-Toluenesulphonyl isocyanate, tech. 85%;2-Methyl-N-(oxomethylidene)benzenesulfonamide
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CAS No:
Characteristics
72
2.10030
1.303 g/mL at 25 °C(lit.)
129 °C (5 mmHg)
>230 °F
n20/D 1.54(lit.)
reacts
0-6°C
Safety Information
II
6.1(a)
UN 2206 6.1/PG 3
3
14-20/21/22-42-36/37/38
23-26-27-28-37/39-8-36/37/39
Xn
P261-P280-P342 + P311
H302-H312-H332-H334
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P312, P322, P330, P342+P311, P363, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:197.21
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:197.01466426
Monoisotopic Mass:197.01466426
Topological Polar Surface Area:72
Heavy Atom Count:13
Complexity:311
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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