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4076-36-2

Basic Information
CAS No.: 4076-36-2
Name: 5-Methyl-1H-Tetrazole
Article Data: 49
Cas Database
Molecular Structure:
Molecular Structure of 4076-36-2 (5-Methyl-1H-Tetrazole)
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: IrritantXi, FlammableF
Risk Codes: 36/37/38
Safety: 26-36-24/25-22
Transport Information: UN 1325
PSA: 54.46000
LogP: -0.49190
Synthetic route
75-05-8

acetonitrile

4076-36-2

5-methyl-1,2,3,4-tetrazole

Conditions
ConditionsYield
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%

5-methyl-1-trityl-1H-tetrazole

4076-36-2

5-methyl-1,2,3,4-tetrazole

Conditions
ConditionsYield
With naphthalene; lithium In tetrahydrofuran at -78℃; for 2.5h; Inert atmosphere;93%

2,2-dimethyl-1-(5-methyl-1H-tetrazol-1-yl)propan-1-one

4076-36-2

5-methyl-1,2,3,4-tetrazole

Conditions
ConditionsYield
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
ConditionsYield
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

109-95-5

ethyl nitrite

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
ConditionsYield
With toluene; ethanethiol
62-55-5

thioacetamide

4076-36-2

5-methyl-1,2,3,4-tetrazole

Conditions
ConditionsYield
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
ConditionsYield
With phosphorus; hydrogen iodide for 2.5h; Heating;0.22 g
75-05-8

acetonitrile

azido-tetraphenylporphinato-Co(III)complex

azido-tetraphenylporphinato-Co(III)complex

4076-36-2

5-methyl-1,2,3,4-tetrazole

Conditions
ConditionsYield
With hydrogenchloride 1.) CH2Cl2, R.T., 7 d, 2.) EtOH, R.T., 1 h; Multistep reaction;
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  • 5-Methyl-1H-tertazole CAS No.4076-36-2

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    5-Methyl-1H-tertazole CAS No.4076-36-2

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Chemistry

Molecular Structure:

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