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2-Propylpyrazine

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Name

2-Propylpyrazine

EINECS 242-023-0
CAS No. 18138-03-9 Density 0.976 g/cm3
PSA 25.78000 LogP 1.42910
Solubility N/A Melting Point N/A
Formula C7H10N2 Boiling Point 176.775 °C at 760 mmHg
Molecular Weight 122.17 Flash Point 65.355 °C
Transport Information N/A Appearance clear very slightly yellow liquid
Safety 24/25 Risk Codes 37/38-41-36/37/38
Molecular Structure Molecular Structure of 18138-03-9 (2-Propylpyrazine) Hazard Symbols IrritantXi
Synonyms

Pyrazine,propyl- (7CI,8CI,9CI);Propylpyrazine;

Article Data 8

2-Propylpyrazine Specification

The 2-Propylpyrazine, with the cas registry number 18138-03-9 and EINECS registry number 242-023-0, is also called 2-Propyl-1,4-diazine. It belongs to the product category of Pyrazine Flavor. And the molecular formula of the chemical is C7H10N2. When you are dealing with the chemical, be cautious not to contact with skin and eyes.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.19; (6)ACD/BCF (pH 7.4): 5.19; (7)ACD/KOC (pH 5.5): 113.08; (8)ACD/KOC (pH 7.4): 113.09; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 36.61 cm3; (15)Molar Volume: 125.2 cm3; (16)Polarizability: 14.51×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 0.975 g/cm3; (19)Flash Point: 65.4 °C; (20)Enthalpy of Vaporization: 39.61 kJ/mol; (21)Boiling Point: 176.8 °C at 760 mmHg; (22)Vapour Pressure: 1.45 mmHg at 25°C.

Preparation of 2-Propylpyrazine: This chemical can be prepared by chloro-pyrazine and propylmagnesium chloride. The reaction will need reagent 1,3-bis(diphenylphosphino)propanedichloronickel(II), and the menstruum diethyl ether. The reaction time is 18 hours with heating, and the yield is about 55%. 

Uses of 2-Propylpyrazine: It can react to produce 2-propylpyrazine 4-oxide and 2-propylpyrazine 1-oxide. This reaction will need reagent 90% H2O2, maleic anhydride, and the menstruum CH2Cl2. The yield is about 20%.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1ccnc(c1)CCC
(2)InChI: InChI=1/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3
(3)InChIKey: DJLLTFRHLPVCEL-UHFFFAOYAZ

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