Phosphonium, (cyanomethyl)triphenyl-, chloride (1:1)
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Phosphonium, (cyanomethyl)triphenyl-, chloride (1:1)
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CAS No:
4336-70-3
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Formula:
C20H17NP.Cl
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Chemical Name:
Phosphonium, (cyanomethyl)triphenyl-, chloride (1:1)
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Synonyms:
Phosphonium,(cyanomethyl)triphenyl-,chloride (1:1);Phosphonium,(cyanomethyl)triphenyl-,chloride;(Cyanomethyl)triphenylphosphonium chloride;NSC 92174;(Cyanomethyl)triphenylphosphanium chloride;201005-19-8
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CAS No:
Phosphonium, (cyanomethyl)triphenyl-, chloride (1:1) Basic Attributes
337.78
337.078705
6222047
224-383-0
92174
29319090
Safety Information
III
6.1
3276
3
36/37/38-20/21/22
37/39-26
TA2075000
Xi,Xn
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Phosphonium, (cyanomethyl)triphenyl-, chloride (1:1) Use and Manufacturing
chloroacetonitrile (10 g, 0.132 mol) was added dropwise to a solution of triphenylphosphine (23.5g, 0.0895 mol) in (120 mL) toluene and heated at reflux for 6 h. The reaction mixture was cooled to room temperature, the solids filtered and washed with (2 x 20 mL) diethyl ether. Compound (15 g, 49.58percent) was obtained as a white solid. -NMR (400 MHz, DMSO) δ 8.02-7.97 (m, 3H), 7.90-7.79 (m, 12H), 5.94 (s, 1 H), 5.90 (s, 1H); LC-MS (ES, m/z): [M+H]chloroacetonitrile (10 g, 0.132 mol) was added dropwise to a solution of triphenylphosphine (23.5 g, 0.0895 mol) in(120 mL) toluene and refluxed for 6 h. The reaction mixture was cooled to room temperature and the solids were filtered and washed with (2 x 20 mL) diethyl ether to give the product (15 g, 49.58percent) as a white solid. ‘H-NMR (400 MHz, DMSO) ö 8.02-7.97 (m, 3H), 7.90-7.79 (m, 12H), 5.94 (s, 1H), 5.90 (s, 1H); LCMS [M+Hf’ 301.7.chioroacetonitrile (10 g, 0.132 mol) was added dropwise to a solution of triphenylphosphine (23.5g, 0.0895 mol) in (120mL) toluene and heated at reflux for 6 h. The reaction mixture was cooled to room temperature, the solids filtered and washed with (2 x 20 mL) diethyl ether. Compound (15 g, 49.5 8percent) was obtained as a white solid. ‘H-NMR (400 MHz, DMSO) ö 8.02-7.97 (m, 3H), 7.90-7.79 (m, 12H), 5.94 (s, 1H), 5.90 (s, 1H); LC-MS (ES, m/z): [M+Hf’= 301.7A mixture of
Computed Properties
Molecular Weight:337.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:337.0787142
Monoisotopic Mass:337.0787142
Topological Polar Surface Area:23.8
Heavy Atom Count:23
Complexity:332
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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