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| CAS No.: | 322-46-3 |
|---|---|
| Name: | Pyrido[2,3-b]pyrazine |
| Molecular Structure: | |
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|
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| Formula: | C7H5N3 |
| Molecular Weight: | 131.137 |
| Synonyms: | 1,4,5-Triazanaphthalene;5-Azaquinoxaline;NSC 73508; |
| EINECS: | 206-294-9 |
| Density: | 1.27 g/cm3 |
| Melting Point: | 139-143 °C |
| Boiling Point: | 253.9 °C at 760 mmHg |
| Flash Point: | 115.9 °C |
| Appearance: | brown to dark green crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26 |
| PSA: | 38.67000 |
| LogP: | 1.02480 |
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Specification
This chemical is called Pyrido[2,3-b]pyrazine, and its systematic name is 131.13. With the molecular formula of C7H5N3, its molecular weight is 322-46-3. The CAS registry number of this chemical is 322-46-3. Additionally, its product category is Fused Ring Systems.
Other characteristics of the Pyrido[2,3-b]pyrazine can be summarised as followings: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.66; (8)ACD/KOC (pH 7.4): 22.66; (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: 1.665; (14)Molar Refractivity: 38.36 cm3; (15)Molar Volume: 103.2 cm3; (16)Polarizability: 15.21×10-24cm3; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 115.9 °C; (20)Enthalpy of Vaporization: 47.15 kJ/mol; (21)Boiling Point: 253.9 °C.
Production method of this chemical: The Pyrido[2,3-b]pyrazine could be obtained by the reactants of [1,4]dioxane-2,3-diol and pyridine-2,3-diamine. This reaction needs the solvent of ethanol. The yield is 87 %. In addition, this reaction should be taken for 30 minutes at ambient temperature.
![The Pyrido[2,3-b]pyrazine could be obtained by the reactants of [1,4]dioxane-2,3-diol and pyridine-2,3-diamine](/UserFilesUpload/Prodution method of Pyrido[2,3-b]pyrazine.jpg)
Uses of this chemical: The Pyrido[2,3-b]pyrazine could react with 1-chloromethanesulfonyl-4-methyl-benzene, and obtain the 1,1a,1b,2-tetrahydro-1,2-bis(p-tolylsulfonyl)bisazirino[1.2-a:2'.1'-c]pyrido[2.3-e]pyrazine. This reaction needs the reagent of KOH, and the solvent of dimethylsulfoxide. The yield is 32 %.
![The Pyrido[2,3-b]pyrazine could react with 1-chloromethanesulfonyl-4-methyl-benzene, and obtain the 1,1a,1b,2-tetrahydro-1,2-bis(p-tolylsulfonyl)bisazirino[1.2-a:2'.1'-c]pyrido[2.3-e]pyrazine](/UserFilesUpload/uses of Pyrido[2,3-b]pyrazine(2).jpg)
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: n1cccc2nccnc12
2.InChI: InChI=1/C7H5N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-5H
3.InChIKey:YEYHFKBVNARCNE-UHFFFAOYAE
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03516, |