Propanenitrile,3-propoxy- supplier

Name
3-propoxypropiononitrile
EINECS 257-118-2
CAS No. 51299-82-2
Article Data16
CAS DataBase
Density 0.888 g/cm³
Solubility
Melting Point
Formula C₆H₁₁NO
Boiling Point 196.4 °C at 760 mmHg
Molecular Weight 113.159
Flash Point 79.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionitrile,3-propoxy- (6CI,7CI);3-Propoxypropanenitrile;3-Propoxypropionitrile;NSC2618;b-Propoxypropionitrile;3-propoxypropiononitrile;
PSA 33.02000
LogP 1.32668

Propanenitrile,3-propoxy- Specification

The Propanenitrile,3-propoxy- is an organic compound with the formula C₆H₁₁NO. The IUPAC name of this chemical is 3-propoxypropanenitrile. With the CAS registry number 51299-82-2, it is also named as 2-Cyanoethylpropyl ether.

Physical properties about Propanenitrile,3-propoxy- are: (1)ACD/LogP: 0.63; (2)ACD/LogD (pH 5.5): 0.63; (3)ACD/LogD (pH 7.4): 0.63; (4)ACD/BCF (pH 5.5): 1.76; (5)ACD/BCF (pH 7.4): 1.76; (6)ACD/KOC (pH 5.5): 52.16; (7)ACD/KOC (pH 7.4): 52.16; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 33.02 Å²; (11)Index of Refraction: 1.409; (12)Molar Refractivity: 31.5 cm³; (13)Molar Volume: 127.3 cm³; (14)Polarizability: 12.48×10^-24cm³; (15)Surface Tension: 30.3 dyne/cm; (16)Density: 0.888 g/cm³; (17)Flash Point: 79.1 °C; (18)Enthalpy of Vaporization: 43.26 kJ/mol; (19)Boiling Point: 196.4 °C at 760 mmHg; (20)Vapour Pressure: 0.399 mmHg at 25°C.

Uses of Propanenitrile,3-propoxy-: it can be used to produce 2-(2-propoxy-ethyl)-pyridine at temperature of 25 °C. It will need catalyst cpCo(cod) and solvent toluene. The yield is about 77%.

Propanenitrile,3-propoxy- and ethyne can be used to produce 2-(2-propoxy-ethyl)-pyridine

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCOCCC
(2)InChI: InChI=1/C6H11NO/c1-2-5-8-6-3-4-7/h2-3,5-6H2,1H3
(3)InChIKey: RBCSSAWYWYRREH-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H11NO/c1-2-5-8-6-3-4-7/h2-3,5-6H2,1H3
(5)Std. InChIKey: RBCSSAWYWYRREH-UHFFFAOYSA-N

Product Name

3-propoxypropiononitrile

Propanenitrile,3-propoxy- Specification

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