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| CAS No.: | 288-88-0 |
|---|---|
| Name: | 1,2,4-Triazole |
| Article Data: | 109 |
| Molecular Structure: | |
|
|
|
| Formula: | C2H3N3 |
| Molecular Weight: | 69.0659 |
| Synonyms: | s-Triazole(8CI);3,4-Diazapyrrole;NSC 83128;1,2,4-1H-Triazole; |
| EINECS: | 206-022-9 |
| Density: | 1.274 g/cm3 |
| Melting Point: | 115-117 °C |
| Boiling Point: | 260 °C at 760 mmHg |
| Flash Point: | 139.1 °C |
| Solubility: | Water solubility: 1250 g/L at 20 °C |
| Appearance: | white crystalline powder and flakes |
| Hazard Symbols: |
 Xn, Xi, C
|
| Risk Codes: | 22-36-63-34 |
| Safety: | 36/37-45-36/37/39-27-26 |
| PSA: | 41.57000 |
| LogP: | -0.19530 |
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- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| With ammonium chloride; hydrazine hydrate at 120℃; Reagent/catalyst; Temperature; Sealed tube; Large scale; | 94% |
| Conditions | Yield |
|---|---|
| In methanol for 7h; Heating; | A 87% B 91% |
| Conditions | Yield |
|---|---|
| With formamide In water | 89.9% |
| Conditions | Yield |
|---|---|
| In methanol for 8h; Heating; | A 71% B 52% |
- 21034-55-9
1-chloro-1,2,4-triazole
- 74-88-4
methyl iodide
A
- 288-88-0
1,2,4-Triazole
B
- 6086-21-1
1-methyl-1H-1,2,4-triazole
| Conditions | Yield |
|---|---|
| In dichloromethane at 42℃; for 3h; Further byproducts given; | A 19% B 6% C 56% D 17% |
| In dichloromethane at 20℃; for 48h; Further byproducts given; | A 30% B 14% C 27% D 34% |
- 21034-55-9
1-chloro-1,2,4-triazole
- 74-88-4
methyl iodide
A
- 288-88-0
1,2,4-Triazole
B
- 6086-21-1
1-methyl-1H-1,2,4-triazole
C
- 21034-58-2
1-iodo-1,2,4-triazole
| Conditions | Yield |
|---|---|
| In chloroform at 20℃; for 48h; | A 32% B 16% C 52% |
- 21034-55-9
1-chloro-1,2,4-triazole
A
- 288-88-0
1,2,4-Triazole
B
- 6086-21-1
1-methyl-1H-1,2,4-triazole
C
- 21034-58-2
1-iodo-1,2,4-triazole
| Conditions | Yield |
|---|---|
| With methyl iodide In chloroform at 20℃; for 48h; | A 32% B 16% C 52% |
- 21034-55-9
1-chloro-1,2,4-triazole
- 74-88-4
methyl iodide
A
- 288-88-0
1,2,4-Triazole
B
- 6086-21-1
1-methyl-1H-1,2,4-triazole
C
- 21034-58-2
1-iodo-1,2,4-triazole
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 48h; | A 43% B 7% C 27% D 23% |
- 21034-55-9
1-chloro-1,2,4-triazole
A
- 288-88-0
1,2,4-Triazole
B
- 6086-21-1
1-methyl-1H-1,2,4-triazole
C
- 21034-58-2
1-iodo-1,2,4-triazole
| Conditions | Yield |
|---|---|
| With methyl iodide In dichloromethane at 20℃; for 48h; | A 43% B 7% C 27% D 23% |
- 21034-55-9
1-chloro-1,2,4-triazole
- 74-88-4
methyl iodide
A
- 288-88-0
1,2,4-Triazole
B
- 4114-36-7
2,4-dimethyl-2,4-dihydro-[1,2,4]triazol-3-one
| Conditions | Yield |
|---|---|
| In dichloromethane at 42℃; for 3h; Product distribution; other solvent, other temperature, other time; | A 34% B 2% C 40% D 24% |
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Chemistry
Molecular Formula: C2H3N3
Molecular Weight: 69.07
EINECS: 206-022-9
Index of Refraction: 1.534
Molar Refractivity: 16.86 cm3
Molar Volume: 54.2 cm3
Surface Tension: 67.1 dyne/cm
Density: 1.274 g/cm3
Flash Point: 139.1 °C
Enthalpy of Vaporization: 47.76 kJ/mol
Boiling Point: 260 °C at 760 mmHg
Vapour Pressure: 0.0203 mmHg at 25 °C
Melting point: 119-121 °C(lit.)
Storage tempreture: Store at 0-5 °C
Water solubility: 1250 g/L at 20 °C
Appearance: White crystalline powder and flakes
Structure of 1,2,4-Triazole (CAS NO.288-88-0):
IUPAC Name: 1,2,4-Triazole
Canonical SMILES: C1=NC=NN1
InChI: InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N
Product Category of 1,2,4-Triazole (CAS NO.288-88-0): Pyrazoles & Triazoles;Cefoperazone;Biochemistry;Condensation & Active Esterification;Nucleosides, Nucleotides & Related Reagents;Protecting Agents, Phosphorylating Agents & Condensing Agents;Synthetic Organic Chemistry;Heterocyclic Building Blocks
Uses
1,2,4-Triazole (CAS NO.288-88-0) is used to produce antifungals.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1350mg/kg (1350mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(11), Pg. 65, 1986. |
| quail | LD50 | oral | > 316mg/kg (316mg/kg) | Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982. | |
| rat | LD50 | oral | 1750mg/kg (1750mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(11), Pg. 65, 1986. |
Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 22-36-63
R22:Harmful if swallowed.
R36:Irritating to eyes.
R63:Possible risk of harm to the unborn child.
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 2
Hazard Note: Irritant
HS Code: 29339990
Specification
1,2,4-Triazole , its cas register number is 288-88-0. It also can be called 1,2,4-Triazole ; 1,2,4-1H-Triazole ; and 4H-1,2,4-Triazole (VAN) . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately.
In addition, 1,2,4-Triazole (CAS NO.288-88-0) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, strong acids, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, ammonia.