Tris(cyanoethyl)phosphine

C₉H₁₂N₃PCAS 4023-53-4193.19 g/mol

Open in Covalent MOL file

Nitrile Phosphine

Properties

Molecular formula: C₉H₁₂N₃P
Molar mass: 193.19 g/mol
Exact mass: 193.0769 Da
Melting point: 97 °C
logP: 2.21Crippen estimate
Polar surface area: 71.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed71.4% of notifiers
H302 Harmful if swallowed28.6% of notifiers
H311 Toxic in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H330 Fatal if inhaled57.1% of notifiers
H331 Toxic if inhaled42.9% of notifiers
H335 May cause respiratory irritation100% of notifiers
H350 May cause cancer28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4023-53-4

SMILES

N#CCCP(CCC#N)CCC#N

InChIKey

CHZAMJVESILJGH-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2

Weigh it out

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

Names and synonyms

9 names

Propanenitrile, 3,3′,3′′-phosphinidynetris-
Propionitrile, 3,3′,3′′-phosphinidynetri-
Propionitrile, 3,3′,3′-phosphinidynetri-
3,3′,3′′-Phosphinidynetris[propanenitrile]
Phosphine, tris(2-cyanoethyl)-
Tris(2-cyanoethyl)phosphine
Tris(β-cyanoethyl)phosphine
NSC 41940
3,3′,3′′-Phosphinetriyltripropanenitrile

Work with Tris(cyanoethyl)phosphine

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

Succinonitrile110-61-253 % similar 3,3′-Thiodipropionitrile111-97-747 % similar Adiponitrile111-69-347 % similar Glutaronitrile544-13-847 % similar Nonanedinitrile1675-69-044 % similar Sebaconitrile1871-96-144 % similar Dodecanedinitrile4543-66-244 % similar Octanedinitrile629-40-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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