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CAS No.: | 33332-30-8 |
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Name: | 2-CHLORO-6-METHOXYPYRAZINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C5H5ClN2O |
Molecular Weight: | 144.56 |
Synonyms: | 6-Chloro-2-methoxypyrazine;6-Methoxy-2-chloropyrazine;2-Methoxy-6-chloropyrazine; |
Density: | 1.292 g/cm3 |
Boiling Point: | 183.3 °C at 760 mmHg |
Flash Point: | 64.7 °C |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 35.01000 |
LogP: | 1.13860 |
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The IUPAC name of this chemical is 2-Chloro-6-methoxypyrazine. With the CAS registry number 33332-30-8, it is also named as Pyrazine,2-chloro-6-methoxy-. In addition, the molecular formula is C5H5ClN2O and the molecular weight is 144.56. It should be stored in a cool and dry place.
Physical properties about 2-Chloro-6-methoxypyrazine are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.46; (6)ACD/BCF (pH 7.4): 16.46; (7)ACD/KOC (pH 5.5): 258.47; (8)ACD/KOC (pH 7.4): 258.47; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 34 cm3; (15)Molar Volume: 111.8 cm3; (16)Polarizability: 13.48×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 64.7 °C; (20)Enthalpy of Vaporization: 40.24 kJ/mol; (21)Boiling Point: 183.3 °C at 760 mmHg; (22)Vapour Pressure: 1.06 mmHg at 25 °C.
People can use the following data to convert to the molecule structure:
(1)SMILES:COc1cncc(Cl)n1
(2)InChI:InChI=1/C5H5ClN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3
(3)InChIKey:XWSSFRJLOZQOCX-UHFFFAOYAK