(Cyanomethyl)triphenylphosphonium chloride

C₂₀H₁₇ClNPCAS 4336-70-3337.79 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₂₀H₁₇ClNP
Molar mass: 337.79 g/mol
Exact mass: 337.0787 Da
Melting point: 244 °C
logP: 0.51Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed97.7% of notifiers
H312 Harmful in contact with skin97.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4336-70-3

SMILES

N#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]

InChIKey

ARPLQAMUUDIHIT-UHFFFAOYSA-M

InChI

InChI=1S/C20H17NP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,17H2;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Phosphonium, (cyanomethyl)triphenyl-, chloride (1:1)
Phosphonium, (cyanomethyl)triphenyl-, chloride
NSC 92174
(Cyanomethyl)triphenylphosphanium chloride

Work with (Cyanomethyl)triphenylphosphonium chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-452 % similar Benzyltriphenylphosphonium chloride1100-88-552 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-752 % similar (Hydroxymethyl)triphenylphosphonium chloride5293-83-452 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-552 % similar Ethyl(triphenyl)phosphonium chloride896-33-352 % similar (4-Cyanobenzyl)triphenylphosphonium chloride20430-33-549 % similar Allyltriphenylphosphonium chloride18480-23-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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