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Pyrazine,3-ethyl-2,5-dimethyl-

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Name

Pyrazine,3-ethyl-2,5-dimethyl-

EINECS 248-182-2
CAS No. 13360-65-1 Density 0.964g/cm3
PSA 25.78000 LogP 1.65580
Solubility N/A Melting Point N/A
Formula C8H12N2 Boiling Point 180.5 °C at 760 mmHg
Molecular Weight 136.197 Flash Point 69.4 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 13360-65-1 (FEMA 3149) Hazard Symbols HarmfulXn
Synonyms

2,5-Dimethyl-3-ethylpyrazine;2-Ethyl-3,6-dimethylpyrazine;3,6-Dimethyl-2-ethylpyrazine;3-Ethyl-2,5-dimethylpyrazine;

Article Data 31

Pyrazine,3-ethyl-2,5-dimethyl- Specification

The Pyrazine,3-ethyl-2,5-dimethyl-, with CAS registry number 13360-65-1, has the systematic name of 3-ethyl-2,5-dimethylpyrazine. Besides this, it is also called 2,5-Dimethyl-3-ethylpyrazine. And the chemical formula of this chemical is C8H12N2. What's more, its EINECS is 248-182-2.

Physical properties of Pyrazine,3-ethyl-2,5-dimethyl-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.23; (6)ACD/BCF (pH 7.4): 10.25; (7)ACD/KOC (pH 5.5): 183.87; (8)ACD/KOC (pH 7.4): 184.05; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 41.63 cm3; (15)Molar Volume: 141.2 cm3; (16)Polarizability: 16.5×10-24cm3; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 0.964 g/cm3; (19)Flash Point: 69.4 °C; (20)Enthalpy of Vaporization: 39.97 kJ/mol; (21)Boiling Point: 180.5 °C at 760 mmHg; (22)Vapour Pressure: 1.21 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-2,5-dimethyl-pyrazine and diethylzinc. This reaction will need solvents tetrahydrofuran, hexane. The reaction time is 3 hour(s). The yield is about 71%.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(nc(c1C)CC)C
(2)InChI: InChI=1/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3
(3)InChIKey: WHMWOHBXYIZFPF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3
(5)Std. InChIKey: WHMWOHBXYIZFPF-UHFFFAOYSA-N

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