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Pyrazine,2-chloro-3,5-dimethyl-

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Name

Pyrazine,2-chloro-3,5-dimethyl-

EINECS N/A
CAS No. 38557-72-1 Density 1.184 g/cm3
PSA 25.78000 LogP 1.74680
Solubility N/A Melting Point N/A
Formula C6H7ClN2 Boiling Point 186.588 °C at 760 mmHg
Molecular Weight 142.588 Flash Point 83.142 °C
Transport Information N/A Appearance N/A
Safety 23-26-36/37/39 Risk Codes 36/38
Molecular Structure Molecular Structure of 38557-72-1 (2-chloro 3,5-dimethyl pyarazine) Hazard Symbols N/A
Synonyms

2-Chloro-3,5-dimethylpyrazine;

Article Data 3

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

The Pyrazine,2-chloro-3,5-dimethyl-, with CAS registry number 38557-72-1, belongs to the following product categories: (1)Halides; (2)Pyrazines, Pyrimidines & Pyridazines. It has the systematic name of 2-chloro-3,5-dimethylpyrazine. And the chemical formula of this chemical is C6H7ClN2.

Physical properties of Pyrazine,2-chloro-3,5-dimethyl-: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 138; (8)ACD/KOC (pH 7.4): 138; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 36.98 cm3; (15)Molar Volume: 120.382 cm3; (16)Polarizability: 14.66×10-24cm3; (17)Surface Tension: 42.147 dyne/cm; (18)Density: 1.184 g/cm3; (19)Flash Point: 83.142 °C; (20)Enthalpy of Vaporization: 40.549 kJ/mol; (21)Boiling Point: 186.588 °C at 760 mmHg; (22)Vapour Pressure: 0.904 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,6-dimethyl-pyrazine 4-oxide. This reaction will need reagent POCl3. The reaction time is 6 hour(s). The yield is about 43%.

Uses of Pyrazine,2-chloro-3,5-dimethyl-: it can be used to produce 3-chloro-2,6-dimethylpyrazine 1-oξde. This reaction will need reagents 90% H2O2, maleic anhydride and solvent CH2Cl2. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnc(c(n1)C)Cl
(2)InChI: InChI=1/C6H7ClN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
(3)InChIKey: BTGGHNHGPURMEO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H7ClN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
(5)Std. InChIKey: BTGGHNHGPURMEO-UHFFFAOYSA-N

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