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| CAS No.: | 930-33-6 |
|---|---|
| Name: | 1,2-Dihydro-3H-1,2,4-triazol-3-one |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C2H3N3O |
| Molecular Weight: | 85.0653 |
| Synonyms: | s-Triazol-3-ol(7CI);D2-1,2,4-Triazolin-5-one(6CI,8CI);1H-1,2,4-Triazol-3-ol;NSC 119861;NSC 153380;1,2,4-Triazole-3-ol; |
| EINECS: | 213-214-6 |
| Density: | 1.81 g/cm3 |
| Melting Point: | 234-235 °C |
| Boiling Point: | 412.6 °C at 760 mmHg |
| Flash Point: | 203.4 °C |
| Solubility: | 76g/L at 20℃ |
| PSA: | 61.54000 |
| LogP: | -0.90200 |
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| Conditions | Yield |
|---|---|
| With trimethyl orthoformate In methanol; toluene | 100% |
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 2h; | 100% |
| Conditions | Yield |
|---|---|
| In water at 106℃; for 4h; | 95% |
| for 2h; Heating; | 86% |
| at 90 - 106℃; for 7h; | 82% |
| at 75℃; for 6h; | 81% |
- 563-41-7
semicarbazide hydrochloride
- 122-51-0
orthoformic acid triethyl ester
- 930-33-6
2,4-dihydro-1,2,4-triazol-3-one
| Conditions | Yield |
|---|---|
| for 2.5h; Heating; | 91% |
| for 2h; Condensation; Heating; |
| Conditions | Yield |
|---|---|
| With acetic acid; sodium nitrite for 4h; Deamination; | 74% |
| Conditions | Yield |
|---|---|
| Heating; | 63% |
- 29983-26-4
2-ethyl-2,4-dihydro-[1,2,4]triazole-3-thione
A
- 4114-42-5
2-ethyl-1,2,4-triazol-3(2H)-one
B
- 930-33-6
2,4-dihydro-1,2,4-triazol-3-one
| Conditions | Yield |
|---|---|
| at 800℃; under 0.01 Torr; | A 60% B 2% |
- 537698-45-6
2-β-cyanoethyl-1,2,4-triazol-3(2H)-one
A
- 107-13-1
acrylonitrile
B
- 930-33-6
2,4-dihydro-1,2,4-triazol-3-one
| Conditions | Yield |
|---|---|
| at 800℃; under 0.01 Torr; | A 43% B 4% |
| Conditions | Yield |
|---|---|
| at 500℃; under 0.01 Torr; | A n/a B 25% |
- 290-87-9
1,3,5-Triazine
- 4426-72-6, 51433-48-8
hydrazine carboxamide
- 930-33-6
2,4-dihydro-1,2,4-triazol-3-one
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Specification
The 3H-1,2,4-Triazol-3-one,1,2-dihydro-, with the CAS registry number 930-33-6, is also known as 1,2,4-Triazole-3-ol. Its EINECS number is 213-214-6. This chemical's molecular formula is C2H3N3O and molecular weight is 85.06. What's more, its systematic name is 1,2-Dihydro-3H-1,2,4-triazol-3-one. Its classification codes are: TSCA Flag P; TSCA Flag S. It should stored at room temperature.
Physical properties of 3H-1,2,4-Triazol-3-one,1,2-dihydro- are: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.5; (4)ACD/LogD (pH 7.4): -1.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.37; (8)ACD/KOC (pH 7.4): 3.94; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.91 Å2; (13)Index of Refraction: 1.753; (14)Molar Refractivity: 19.22 cm3; (15)Molar Volume: 46.9 cm3; (16)Polarizability: 7.62×10-24 cm3; (17)Surface Tension: 82.6 dyne/cm; (18)Density: 1.81 g/cm3; (19)Flash Point: 203.4 °C; (20)Enthalpy of Vaporization: 69.11 kJ/mol; (21)Boiling Point: 412.6 °C at 760 mmHg; (22)Vapour Pressure: 2.13E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC(=O)NN1
(2)InChI: InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)
(3)InChIKey: LZTSCEYDCZBRCJ-UHFFFAOYSA-N