Propanenitrile,3,3',3''-[1,2,3-propanetriyltris(oxy)]tris- supplier

Name
1,2,3-TRIS(2-CYANOETHOXY)PROPANE
EINECS 219-573-5
CAS No. 2465-93-2
Article Data8
CAS DataBase
Density 1.11 g/cm³
Solubility Soluble in water.
Melting Point
Formula C₁₂H₁₇N₃O₃
Boiling Point 492.4 °C at 760 mmHg
Molecular Weight 251.285
Flash Point 200.7 °C
Transport Information
Appearance clear colorless viscous liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionitrile,3,3',3''-(1,2,3-propanetriyltrioxy)tri- (6CI,7CI,8CI);1,2,3-Tris(2-cyanoethoxy)propane;1,2,3-Tris(b-cyanethoxy)propane;1,2,3-Tris(b-cyanoethoxy)propane;NSC 105812;Tris(cyanoethoxy)propane;Tris(b-cyanoethoxy)propane;
PSA 99.06000
LogP 1.14584

Propanenitrile,3,3',3''-[1,2,3-propanetriyltris(oxy)]tris- Specification

The Propanenitrile,3,3',3''-[1,2,3-propanetriyltris(oxy)]tris- is an organic compound with the formula C₁₂H₁₇N₃O₃. The IUPAC name of this chemical is 3-[2,3-bis(2-cyanoethoxy)propoxy]propanenitrile. With the CAS registry number 2465-93-2, it is also named as 1,2,3-tris(2-cyanoethoxy)propane. The product's categories are Dinitriles & Trinitriles; Trinitriles; Gas Chromatography; Packed GC; Stationary Phases. Besides, it should be stored in a closed cool and dry place.

Physical properties about Propanenitrile,3,3',3''-[1,2,3-propanetriyltris(oxy)]tris- are: (1)ACD/LogP: -1.52; (2)ACD/LogD (pH 5.5): -1.52; (3)ACD/LogD (pH 7.4): -1.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.57; (7)ACD/KOC (pH 7.4): 3.57; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 99.06 Å²; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 62.57 cm³; (13)Molar Volume: 226.2 cm³; (14)Polarizability: 24.8×10^-24cm³; (15)Surface Tension: 46.5 dyne/cm; (16)Density: 1.11 g/cm³; (17)Flash Point: 200.7 °C; (18)Enthalpy of Vaporization: 75.93 kJ/mol; (19)Boiling Point: 492.4 °C at 760 mmHg; (20)Vapour Pressure: 7.73E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCOC(COCCC#N)COCCC#N
(2)InChI: InChI=1/C12H17N3O3/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14/h12H,1-3,7-11H2
(3)InChIKey: ALGVJKNIAOBBBJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H17N3O3/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14/h12H,1-3,7-11H2
(5)Std. InChIKey: ALGVJKNIAOBBBJ-UHFFFAOYSA-N

Product Name

1,2,3-TRIS(2-CYANOETHOXY)PROPANE

Propanenitrile,3,3',3''-[1,2,3-propanetriyltris(oxy)]tris- Specification

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