Benzonitrile,4-(5-propyl-1,3-dioxan-2-yl)- supplier

Name
2-(4-CYANOPHENYL)-5-N-PROPYL-1,3-DIOXANE
EINECS 279-441-8
CAS No. 80285-16-1
Density 1.1 g/cm³
Solubility
Melting Point 58-60 °C
Formula C₁₄H₁₇NO₂
Boiling Point 366.3 °C at 760 mmHg
Molecular Weight 231.2903
Flash Point 132.7 °C
Transport Information
Appearance
Safety 22-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 2-(4-CYANOPHENYL)-5-N-PROPYL-1,3-DIOXANE;4-(5-propyl-1,3-dioxan-2-yl)benzonitrile;2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane, 99+%
PSA 42.25000
LogP 3.01998

Benzonitrile,4-(5-propyl-1,3-dioxan-2-yl)- Specification

The Benzonitrile,4-(5-propyl-1,3-dioxan-2-yl)- is an organic compound with the molecular formula C₁₄H₁₇NO₂. Its CAS registry number is 80285-16-1. The IUPAC name of this chemical is called 4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile. Its EINECS registry number is 279-441-8. What's more, the molecular weight of this chemical is 231.29.

Physical properties about Benzonitrile,4-(5-propyl-1,3-dioxan-2-yl)- are: (1)ACD/LogP: 2.90; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 94.23; (6)ACD/BCF (pH 7.4): 94.23; (7)ACD/KOC (pH 5.5): 901.02; (8)ACD/KOC (pH 7.4): 901.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.25Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 65.12 cm³; (15)Molar Volume: 209.7 cm³; (16)Polarizability: 25.81×10^-24 cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 132.7 °C; (20)Enthalpy of Vaporization: 61.27 kJ/mol; (21)Boiling Point: 366.3 °C at 760 mmHg; (22)Vapour Pressure: 1.48E-05 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, you should not breathe dust and wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(cc1)C2OCC(CO2)CCC
(2) InChI: InChI=1/C14H17NO2/c1-2-3-12-9-16-14(17-10-12)13-6-4-11(8-15)5-7-13/h4-7,12,14H,2-3,9-10H2,1H3
(3) InChIKey: GQPFCPRCGONDNN-UHFFFAOYAD

Product Name

2-(4-CYANOPHENYL)-5-N-PROPYL-1,3-DIOXANE

Benzonitrile,4-(5-propyl-1,3-dioxan-2-yl)- Specification

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