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| CAS No.: | 4076-36-2 |
|---|---|
| Name: | 5-Methyl-1H-tertazole |
| Molecular Structure: | |
|
|
|
| Formula: | C2H4N4 |
| Molecular Weight: | 84.0806 |
| Synonyms: | 1H-Tetrazole,5-methyl- (8CI,9CI);5-Methyl-1,2,3,4-tetrazole;5-Methyl-2H-tetrazole;5-Methyltetrazole;NSC 11136;T 2588F; |
| EINECS: | 609-862-8 |
| Density: | 1.319 g/cm3 |
| Melting Point: | 142-146 °C(lit.) |
| Boiling Point: | 233.3 °C at 760 mmHg |
| Flash Point: | 116.7 °C |
| Solubility: | Soluble in water. |
| Appearance: | white to yellowish crystals |
| Hazard Symbols: |
 Xi,  F
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25-22 |
| Transport Information: | UN 1325 |
| PSA: | 54.46000 |
| LogP: | -0.49190 |
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| Conditions | Yield |
|---|---|
| With sodium azide In N,N-dimethyl-formamide at 120℃; for 3h; | 99% |
| With sodium azide; nickel(II) ferrite; ammonium acetate In N,N-dimethyl-formamide at 100℃; for 1h; | 94% |
| With sodium azide; zinc(II) sulfate In butan-1-ol at 110℃; for 16h; Reagent/catalyst; | 94% |
- 4076-36-2
5-methyl-1,2,3,4-tetrazole
| Conditions | Yield |
|---|---|
| With naphthalene; lithium In tetrahydrofuran at -78℃; for 2.5h; Inert atmosphere; | 93% |
- 4076-36-2
5-methyl-1,2,3,4-tetrazole
| Conditions | Yield |
|---|---|
| With naphthalene; lithium In tetrahydrofuran at 0℃; for 3h; Inert atmosphere; | 61% |
- 100-47-0
benzonitrile
- 75-05-8
acetonitrile
A
- 4076-36-2
5-methyl-1,2,3,4-tetrazole
B
- 18039-42-4
5-Phenyl-1H-tetrazole
| Conditions | Yield |
|---|---|
| With trimethylsilylazide; dibutyltin diacetate at 30℃; for 24h; | A 40% B 40% |
- 109-95-5
ethyl nitrite
- 64-17-5
ethanol
- 39254-63-2
acetamidrazone hydrochloride
- 4076-36-2
5-methyl-1,2,3,4-tetrazole
- 98071-92-2
1-ethoxy-1,1-diazido-ethane
- 4076-36-2
5-methyl-1,2,3,4-tetrazole
| Conditions | Yield |
|---|---|
| With toluene; ethanethiol |
| Conditions | Yield |
|---|---|
| With tetrahydrofuran; aluminium trichloride; sodium azide |
- 90040-43-0
1-Methoxy-5-methyl-1H-tetrazole
- 4076-36-2
5-methyl-1,2,3,4-tetrazole
| Conditions | Yield |
|---|---|
| With phosphorus; hydrogen iodide for 2.5h; Heating; | 0.22 g |
| Conditions | Yield |
|---|---|
| With hydrogenchloride 1.) CH2Cl2, R.T., 7 d, 2.) EtOH, R.T., 1 h; Multistep reaction; |
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Chemistry
Molecular Structure:
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Molecular Formula: C2H4N4
Molecular Weight: 84.08
IUPAC Name: 5-Methyl-2H-tetrazole
Synonyms of 5-Methyl-1H-Tetrazole (CAS NO.4076-36-2): 1H-Tetrazole, 5-methyl-
CAS NO: 4076-36-2
Product Categories: Tetrazoles ; Building Blocks ; Heterocyclic Building Blocks
Melting point: 142-146 °C
Polar Surface Area: 43.6 Å2
Index of Refraction: 1.533
Molar Refractivity: 19.78 cm3
Molar Volume: 63.7 cm3
Surface Tension: 74.2 dyne/cm
Density: 1.319 g/cm3
Flash Point: 116.7 °C
Enthalpy of Vaporization: 47.01 kJ/mol
Boiling Point: 233.3 °C at 760 mmHg
Vapour Pressure: 0.0561 mmHg at 25°C
Uses
5-Methyl-1H-Tetrazole (CAS NO.4076-36-2) is used as a cephalosporin side chain.
Safety Profile
Safety Information of 5-Methyl-1H-Tetrazole (CAS NO.4076-36-2):
Hazard Codes:Xi 
,F 
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36-24/25-22
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes
22:Do not breathe dust
RIDADR:1325
WGK Germany:3
Hazard Note:Flammable/Irritant/Keep Cold