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Name |
Pyrido[3,4-b]pyrazine,5-chloro- |
EINECS | N/A |
CAS No. | 214045-82-6 | Density | 1.437 g/cm3 |
PSA | 38.67000 | LogP | 1.67820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4ClN3 | Boiling Point | 314.2 °C at 760 mmHg |
Molecular Weight | 165.582 | Flash Point | 173 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-CHLOROPYRIDO[4,3-B]PYRAZINE;Pyrido[3,4-b]pyrazine, 5-chloro-;5-Chloropyrido[3,4-b]pyrazine;5-chloropyrido[3;5-Chloropyridino[3,4-b]pyrazine |
Article Data | 5 |
The Pyrido[3,4-b]pyrazine,5-chloro-, with CAS registry number 214045-82-6, has the systematic name of 5-chloropyrido[3,4-b]pyrazine. Besides this, it is also called 5-Chloropyrido[4,3-b]pyrazine. And the chemical formula of this chemical is C7H4ClN3. Its molecular weight is 165.57976.
Physical properties of Pyrido[3,4-b]pyrazine,5-chloro-: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.06; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 36.19; (8)ACD/KOC (pH 7.4): 36.2; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 43.26 cm3; (15)Molar Volume: 115.1 cm3; (16)Polarizability: 17.15×10-24cm3; (17)Surface Tension: 66.9 dyne/cm; (18)Density: 1.437 g/cm3; (19)Flash Point: 173 °C; (20)Enthalpy of Vaporization: 53.32 kJ/mol; (21)Boiling Point: 314.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000872 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nccc1nccnc12
(2)InChI: InChI=1/C7H4ClN3/c8-7-6-5(1-2-11-7)9-3-4-10-6/h1-4H
(3)InChIKey: NUBUQZAPGNANJA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H4ClN3/c8-7-6-5(1-2-11-7)9-3-4-10-6/h1-4H
(5)Std. InChIKey: NUBUQZAPGNANJA-UHFFFAOYSA-N