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CAS No.: | 921938-93-4 |
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Name: | 3-[(6-Methylpyrazin-2-yl)oxy]benzoyl chloride |
Molecular Structure: | |
Formula: | C12H9ClN2O2 |
Molecular Weight: | 248.67 |
Synonyms: | 3-[(6-Methylpyrazin-2-yl)oxy]benzoyl chloride;3-[(6-Methylpyrazin-2-yl)oxy]benzoyl chloride 97% |
Density: | 1.314 g/cm3 |
Melting Point: | 69.5-70.5 |
Boiling Point: | 364.6 °C at 760 mmHg |
Flash Point: | 174.3 °C |
Hazard Symbols: | C |
PSA: | 52.08000 |
LogP: | 2.95630 |
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This chemical is called Benzoylchloride, 3-[(6-methyl-2-pyrazinyl)oxy]-, and its systematic name is 3-(6-methylpyrazin-2-yl)oxybenzoyl chloride. With the molecular formula of C12H9ClN2O2, its molecular weight is 248.67. The CAS registry number of this chemical is 921938-93-4.
Other characteristics of the Benzoylchloride, 3-[(6-methyl-2-pyrazinyl)oxy]- can be summarised as followings: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 52.08 ?2; (9)Index of Refraction: 1.591; (10)Molar Refractivity: 63.94 cm3; (11)Molar Volume: 189.1 cm3; (12)Polarizability: 25.35×10-24cm3; (13)Surface Tension: 52 dyne/cm; (14)Density: 1.314 g/cm3; (15)Flash Point: 174.3 °C; (16)Enthalpy of Vaporization: 61.09 kJ/mol; (17)Boiling Point: 364.6 °C at 760 mmHg; (18)Vapour Pressure: 1.66E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cncc(n1)Oc2cccc(c2)C(=O)Cl
2.InChI: InChI=1/C12H9ClN2O2/c1-8-6-14-7-11(15-8)17-10-4-2-3-9(5-10)12(13)16/h2-7H,1H3
3.InChIKey: YVVBBJRSYHOKJI-UHFFFAOYAL