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CAS No.: | 4925-61-5 |
---|---|
Name: | 6-CHLORO-2-HYDROXYPYRAZINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C4H3ClN2O |
Molecular Weight: | 130.534 |
Synonyms: | 6-Chloro-2-pyrazinol;6-Chloropyrazin-2-ol; |
Density: | 1.513 g/cm3 |
Boiling Point: | 419.563 °C at 760 mmHg |
Flash Point: | 207.545 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 46.01000 |
LogP: | 0.83560 |
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The 2-Pyrazinol, 6-chloro-, with the CAS registry number 4925-61-5, is also known as 6-Chloro-2-pyrazinol. This chemical's molecular formula is C4H3ClN2O and molecular weight is 130.53. What's more, its systematic name is 6-chloropyrazin-2-ol.
Physical properties of 2-Pyrazinol, 6-chloro- are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 29; (6)ACD/KOC (pH 7.4): 4; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 46.01 Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 29.212 cm3; (13)Molar Volume: 86.262 cm3; (14)Polarizability: 11.581×10-24cm3; (15)Surface Tension: 66.628 dyne/cm; (16)Density: 1.513 g/cm3; (17)Flash Point: 207.545 °C; (18)Enthalpy of Vaporization: 69.939 kJ/mol; (19)Boiling Point: 419.563 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cncc(Cl)n1
(2)InChI: InChI=1S/C4H3ClN2O/c5-3-1-6-2-4(8)7-3/h1-2H,(H,7,8)
(3)InChIKey: SKZXVUPFUHQWKS-UHFFFAOYSA-N