Product Name

  • Name

    Tetrazole

  • EINECS 206-023-4
  • CAS No. 288-94-8
  • Article Data144
  • CAS DataBase
  • Density 1.477 g/cm3
  • Solubility soluble in water
  • Melting Point 156-158 °C
  • Formula CH2N4
  • Boiling Point 220.233 °C at 760 mmHg
  • Molecular Weight 70.0537
  • Flash Point 114.573 °C
  • Transport Information UN 1993 3/PG 2
  • Appearance white crystals or crystalline powder
  • Safety 16-26-36
  • Risk Codes 11-20/21/22-36-5-4
  • Molecular Structure Molecular Structure of 288-94-8 (Tetrazole)
  • Hazard Symbols FlammableF,HarmfulXn
  • Synonyms 1H-Tetrazole(8CI,9CI);1H-TZ;NSC 36712;Tetraazacyclopentadiene;1H-Tetrazole;
  • PSA 54.46000
  • LogP -0.80030

Synthetic route

orthoformic acid triethyl ester
122-51-0

orthoformic acid triethyl ester

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
With sodium azide; ammonium chloride; acetic acid at 90℃; for 10h;91.55%
Stage #1: orthoformic acid triethyl ester With hydrogenchloride; sodium azide; ammonia; pyridine hydrochloride; acetic acid at 90℃; for 12h;
Stage #2: With water; sodium hydroxide at 20℃;		71%
With sodium azide; ammonium chloride; acetic acid at 95℃; for 18h;60.5%
ethyl cyanoformate
623-49-4

ethyl cyanoformate

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
With sodium azide; triethylamine hydrochloride In N,N-dimethyl-formamide at 130℃; for 4h; Microwave irradiation; Inert atmosphere;85%
5-iodo-1H-tetrazole
66924-15-0

5-iodo-1H-tetrazole

sodium ethanolate
141-52-6

sodium ethanolate

1H-tetrazole
288-94-8

1H-tetrazole

5-aminotetrazole
4418-61-5

5-aminotetrazole

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
With hypophosphorous acid; sodium nitrite
4-tetrazol-1-yl-phenylamine
14213-13-9

4-tetrazol-1-yl-phenylamine

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
With sulfuric acid; permanganate(VII) ion
hydrogen cyanide
74-90-8

hydrogen cyanide

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
With hydrogen azide; ethanol at 100℃;
With hydrogen azide; water at 70 - 80℃;
With tris-(2-chloro-ethyl)-amine; benzene at 110℃;
potassium cyanide
151-50-8

potassium cyanide

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
With hydrogenchloride; sodium azide at 110℃;
<5-3H>-tetrazole

<5-3H>-tetrazole

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
With water at 85℃; Rate constant; pH 2.07 - 12.47;
1.2.3-triaza-6.7-benzo-indolizine

1.2.3-triaza-6.7-benzo-indolizine

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
With permanganate(VII) ion; acetic acid Man kocht die nach Entfernung des Braunsteins eingeengte Loesung mit verd. Salpetersaeure;
2-<4-amino-phenyl>-tetrazole-carboxylic acid-(5)

2-<4-amino-phenyl>-tetrazole-carboxylic acid-(5)

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
With sodium hydroxide; permanganate(VII) ion
(1H-tetrazol-5-yl)-diazenecarboxylic acid

(1H-tetrazol-5-yl)-diazenecarboxylic acid

water
7732-18-5

water

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
beim Erwaermen;
1,4-dihydro-tetrazole-5-thione
18686-81-2

1,4-dihydro-tetrazole-5-thione

nitric acid
7697-37-2

nitric acid

1H-tetrazole
288-94-8

1H-tetrazole

5-iodo-1H-tetrazole
66924-15-0

5-iodo-1H-tetrazole

sulphurous acid
7782-99-2

sulphurous acid

1H-tetrazole
288-94-8

1H-tetrazole

5-diazo-tetrazole

5-diazo-tetrazole

1H-tetrazole
288-94-8

1H-tetrazole

Conditions
ConditionsYield
With hydrogenchloride; tin(ll) chloride
With copper(I) sulfate; water; hypophosphorous acid; copper(II) sulfate at 60℃;
With copper(I) sulfate; alkali arsenite; water; copper(II) sulfate at 60℃;
1H-tetrazole
288-94-8

1H-tetrazole

Tri-O-acetyluridine
4105-38-8

Tri-O-acetyluridine

4-(tetrazol-1-yl)-1-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-pyrimedin-2(1H)-one
76991-96-3

4-(tetrazol-1-yl)-1-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-pyrimedin-2(1H)-one

Conditions
ConditionsYield
With diphenyl hydrogen phosphate; p-toluenesulfonyl chloride In pyridine at 20℃; for 36h; Substitution;100%
With pyridine; diphenyl hydrogen phosphate; p-toluenesulfonyl chloride at 20℃; for 36h;95%
With diphenyl hydrogen phosphate; p-toluenesulfonyl chloride In pyridine for 36h; Ambient temperature;88%
With diphenyl hydrogen phosphate; p-toluenesulfonyl chloride In pyridine for 36h; Ambient temperature;88%
1H-tetrazole
288-94-8

1H-tetrazole

[3-15N]-2',3',5'-tri-O-acetyluridine

[3-15N]-2',3',5'-tri-O-acetyluridine

[3-15N]-4-(tetrazol-1-yl)-1-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)pyrimidin-2(1H)-one
273214-60-1

[3-15N]-4-(tetrazol-1-yl)-1-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)pyrimidin-2(1H)-one

Conditions
ConditionsYield
With diphenyl hydrogen phosphate; p-toluenesulfonyl chloride In pyridine at 20℃; for 36h; Substitution;99%
1H-tetrazole
288-94-8

1H-tetrazole

tetrazolium perchlorate
64890-08-0

tetrazolium perchlorate

Conditions
ConditionsYield
With perchloric acid In water at 80℃; for 0.166667h;98%
1H-tetrazole
288-94-8

1H-tetrazole

3',5'-di-O-acetyl-2'-deoxyuridine
13030-62-1

3',5'-di-O-acetyl-2'-deoxyuridine

Acetic acid (2R,3S,5R)-2-acetoxymethyl-5-(2-oxo-4-tetrazol-1-yl-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester
175601-12-4

Acetic acid (2R,3S,5R)-2-acetoxymethyl-5-(2-oxo-4-tetrazol-1-yl-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester

Conditions
ConditionsYield
With diphenyl hydrogen phosphate; p-toluenesulfonyl chloride In pyridine for 12h; Ambient temperature;97%
1H-tetrazole
288-94-8

1H-tetrazole

tetra(n-butyl)ammonium hydroxide
2052-49-5

tetra(n-butyl)ammonium hydroxide

tetrabutylammonium tetrazolate

tetrabutylammonium tetrazolate

Conditions
ConditionsYield
With sodium hydroxide97%
1H-tetrazole
288-94-8

1H-tetrazole

sodium hydrogencarbonate
144-55-8

sodium hydrogencarbonate

5'-O-(4-4'-dimethoxytrityl)thymidine
40615-39-2

5'-O-(4-4'-dimethoxytrityl)thymidine

N,N,N',N'-tetraisopropyl-O-[2-[N-isopropyl-N-(4-methoxybenzoyl)amino]ethyl] phosphordiamidite
327596-87-2

N,N,N',N'-tetraisopropyl-O-[2-[N-isopropyl-N-(4-methoxybenzoyl)amino]ethyl] phosphordiamidite

5'-O-(4,4'-Dimethoxytrityl)-3'-O-(N,N-diisopropylamino)-[2-[N-isopropyl-N-(4-methoxybenzoyl)amino]ethoxy]phosphinylthymidine

5'-O-(4,4'-Dimethoxytrityl)-3'-O-(N,N-diisopropylamino)-[2-[N-isopropyl-N-(4-methoxybenzoyl)amino]ethoxy]phosphinylthymidine

Conditions
ConditionsYield
In hexane; dichloromethane; ethyl acetate; toluene; acetonitrile97%
...Expand
1H-tetrazole
288-94-8

1H-tetrazole

potassium borohydride

potassium borohydride

18-crown-6 ether
17455-13-9

18-crown-6 ether

K(μ2-(B(hydride)2(tetrazolate)2)-κ2N,H)(18-crown-6-κ6)
1233953-72-4

K(μ2-(B(hydride)2(tetrazolate)2)-κ2N,H)(18-crown-6-κ6)

Conditions
ConditionsYield
With H2 In neat (no solvent) mixing KBH4, N compd. (2, 3 or 4 equiv.), heating at 100-130°C until gas evolution cessation, treatment with soln. of 1 equiv. of 18-crown-6 in C4H8O; isolation of solid;97%
...Expand
1H-tetrazole
288-94-8

1H-tetrazole

18-crown-6 ether
17455-13-9

18-crown-6 ether

K(BH2(HCN4)2)(18-crown-6)

K(BH2(HCN4)2)(18-crown-6)

Conditions
ConditionsYield
Stage #1: 1H-tetrazole With potassium borohydride at 100 - 130℃;
Stage #2: 18-crown-6 ether In tetrahydrofuran		97%
1H-tetrazole
288-94-8

1H-tetrazole

4,6-Dichloro-2-(methylthio)pyrimidine
6299-25-8

4,6-Dichloro-2-(methylthio)pyrimidine

2-(methylthio)-4,6-di(1H-tetrazol-1-yl)pyrimidine

2-(methylthio)-4,6-di(1H-tetrazol-1-yl)pyrimidine

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 60℃; for 0.166667h; Microwave irradiation;97%
With triethylamine In N,N-dimethyl-formamide Microwave irradiation;
1H-tetrazole
288-94-8

1H-tetrazole

-butyl vinyl ether
111-34-2

-butyl vinyl ether

2-(1-butoxyethyl)tetrazole
75054-73-8

2-(1-butoxyethyl)tetrazole

Conditions
ConditionsYield
With phosphoric acid In dichloromethane at 30 - 35℃; for 7h;96.6%
1H-tetrazole
288-94-8

1H-tetrazole

thiosemicarbazide
79-19-6

thiosemicarbazide

4-Phenylbenzaldehyde
3218-36-8

4-Phenylbenzaldehyde

C15H15N7S

C15H15N7S

Conditions
ConditionsYield
In ethanol for 0.05h; Solvent; Sonication;96%
...Expand
1H-tetrazole
288-94-8

1H-tetrazole

silver nitrate

silver nitrate

Ag(CHN4)
214599-77-6

Ag(CHN4)

Conditions
ConditionsYield
With aq. NaOH In water mixed, aq. 1.0M NaOH added, stirred (1 h); filtered, washed (H2O, C2H5OH, acetone), dried (in vac., 2 h); elem. anal.;95.9%
1H-tetrazole
288-94-8

1H-tetrazole

diisopropylamine
108-18-9

diisopropylamine

N,N-diisopropylamine tetrazolide
93183-36-9

N,N-diisopropylamine tetrazolide

Conditions
ConditionsYield
In acetonitrile for 0.333333h; Ambient temperature;95%
In acetonitrile
In dichloromethane; acetonitrile at 20℃; for 0.5h; Inert atmosphere;
In acetonitrile
1H-tetrazole
288-94-8

1H-tetrazole

3',5'-dibenzoyl-2'-deoxy-β-L-uridine
31615-99-3

3',5'-dibenzoyl-2'-deoxy-β-L-uridine

C24H20N6O6
219642-22-5

C24H20N6O6

Conditions
ConditionsYield
With 4-chlorophenylphosphorodichloridate In pyridine for 5h; Ambient temperature;95%
1H-tetrazole
288-94-8

1H-tetrazole

Bu4NX, X = halide

Bu4NX, X = halide

tetrabutylammonium tetrazolate

tetrabutylammonium tetrazolate

Conditions
ConditionsYield
With potassium carbonate In acetone at 20 - 25℃; for 3h;95%
1H-tetrazole
288-94-8

1H-tetrazole

3',5'-di-O-acetyl-2'-O-methyluridine
61671-79-2

3',5'-di-O-acetyl-2'-O-methyluridine

4-(tetrazol-1-yl)-1-(3',5'-di-O-acetyl-2'-O-methyl-β-D-ribofuranosyl)pyrimidin-2-(1H)-one
1085342-81-9

4-(tetrazol-1-yl)-1-(3',5'-di-O-acetyl-2'-O-methyl-β-D-ribofuranosyl)pyrimidin-2-(1H)-one

Conditions
ConditionsYield
With pyridine; diphenyl hydrogen phosphate; p-toluenesulfonyl chloride at 20℃; for 36h;95%
1H-tetrazole
288-94-8

1H-tetrazole

cyclohexanol
108-93-0

cyclohexanol

2-cyclohexyltetrazole
133533-65-0

2-cyclohexyltetrazole

Conditions
ConditionsYield
With sulfuric acid for 0.833333h;94%
1H-tetrazole
288-94-8

1H-tetrazole

1-chloro-3-(5-phenyl-1H-tetrazol-1-yl)propan-2-ol
85510-77-6

1-chloro-3-(5-phenyl-1H-tetrazol-1-yl)propan-2-ol

1-<5-phenyl-1(2)-tetrazolyl>-3-<1(2)-tetrazolyl>-2-propanol

1-<5-phenyl-1(2)-tetrazolyl>-3-<1(2)-tetrazolyl>-2-propanol

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 50℃; for 3h;93%
1H-tetrazole
288-94-8

1H-tetrazole

1H-tetrazole sodium salt
13440-29-4

1H-tetrazole sodium salt

Conditions
ConditionsYield
With sodium hydroxide In water93%
1H-tetrazole
288-94-8

1H-tetrazole

sodium 5-chlorotetrazolate
96107-81-2

sodium 5-chlorotetrazolate

Conditions
ConditionsYield
With sodium hypochlorite; acetic acid In water at 55℃; for 6h; Temperature; Time;92.76%
1H-tetrazole
288-94-8

1H-tetrazole

[3',4'-13C2]3',5'-di-O-acetyl-2'-deoxyuridine
404839-22-1

[3',4'-13C2]3',5'-di-O-acetyl-2'-deoxyuridine

4-(tetrazol-1-yl)-1-([3',4'-13C2]3',5'-di-O-acetyl-2'-deoxy-β-D-ribofuranosyl)pyrimidin-2-one
404839-23-2

4-(tetrazol-1-yl)-1-([3',4'-13C2]3',5'-di-O-acetyl-2'-deoxy-β-D-ribofuranosyl)pyrimidin-2-one

Conditions
ConditionsYield
With pyridine; diphenyl hydrogen phosphate; p-toluenesulfonyl chloride at 20℃; for 1.5h;92%
1H-tetrazole
288-94-8

1H-tetrazole

4-nitrobenzyl chloride
619-73-8

4-nitrobenzyl chloride

1-(tetrazol-2-ylmethyl)-4-nitrobenzene
144035-43-8

1-(tetrazol-2-ylmethyl)-4-nitrobenzene

Conditions
ConditionsYield
With trifluorormethanesulfonic acid at 60℃; for 5h;92%
1H-tetrazole
288-94-8

1H-tetrazole

methyl thiochloroformate
18369-83-0

methyl thiochloroformate

5-<(methylthio)carbonyl>tetrazole
82995-84-4

5-<(methylthio)carbonyl>tetrazole

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran Ambient temperature;91%
1H-tetrazole
288-94-8

1H-tetrazole

phenyl chlorothioformate
13464-19-2

phenyl chlorothioformate

Tetrazole-1-carbothioic acid S-phenyl ester
82995-86-6

Tetrazole-1-carbothioic acid S-phenyl ester

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran Ambient temperature;90%
1H-tetrazole
288-94-8

1H-tetrazole

C13H16BrN3O2
114006-32-5

C13H16BrN3O2

N-[1-Cyclohexyl-1-tetrazol-1-yl-meth-(Z)-ylidene]-N'-(4-nitro-phenyl)-hydrazine
114006-67-6

N-[1-Cyclohexyl-1-tetrazol-1-yl-meth-(Z)-ylidene]-N'-(4-nitro-phenyl)-hydrazine

Conditions
ConditionsYield
With triethylamine In ethanol for 1h; Ambient temperature;90%
1H-tetrazole
288-94-8

1H-tetrazole

C17H18BrN3O2
114006-31-4

C17H18BrN3O2

N-[2,2-Dimethyl-3-phenyl-1-tetrazol-1-yl-prop-(Z)-ylidene]-N'-(4-nitro-phenyl)-hydrazine
114006-66-5

N-[2,2-Dimethyl-3-phenyl-1-tetrazol-1-yl-prop-(Z)-ylidene]-N'-(4-nitro-phenyl)-hydrazine

Conditions
ConditionsYield
With triethylamine In ethanol for 1h; Ambient temperature;90%
1H-tetrazole
288-94-8

1H-tetrazole

silver nitrate

silver nitrate

Ag(1+)*CHN4(1-) = [Ag(CHN4)]
214599-77-6

Ag(1+)*CHN4(1-) = [Ag(CHN4)]

Conditions
ConditionsYield
In ethanol; water stirring (room temp., 2 h); filtration, washing (EtOH), drying in air; elem. anal.;90%
In water crystn. from weak HNO3-soln.;
In water crystn. from weak HNO3-soln.;

Tetrazole Specification

The Tetrazole, with the CAS registry number 288-94-8, is also known as Tetraazacyclopentadiene. It belongs to the product categories of Tetrazoles; Other Reagents; Chemistry; Peptide Synthesis; Solvents and Mixtures for Peptide Synthesis; Specialty Synthesis; Biotech Solvents Solvents; Solvent Bottles; Solvents. Its EINECS number is 206-023-4. This chemical's molecular formula is CH2N4 and molecular weight is 70.05. What's more, its systematic name is 2H-Tetrazole. This chemical is used as a peptide coupling agent. Tetrazole was first prepared by the reaction of anhydrous hydrazoic acid and hydrogen cyanide under pressure.

Physical properties of Tetrazole are: (1)ACD/LogP: -0.6; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.41; (4)ACD/LogD (pH 7.4): -2.52; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.73; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.46 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 14.96 cm3; (15)Molar Volume: 47.427 cm3; (16)Polarizability: 5.931×10-24cm3; (17)Surface Tension: 98.3 dyne/cm; (18)Density: 1.477 g/cm3; (19)Flash Point: 114.573 °C; (20)Enthalpy of Vaporization: 45.665 kJ/mol; (21)Boiling Point: 220.233 °C at 760 mmHg; (22)Vapour Pressure: 0.1 mmHg at 25°C.

Uses of Tetrazole: it can be used to produce 1-vinyl-1H-tetrazole at the temperature of 50 °C. It will need reagents mercurous acetate, H2SO4 with the reaction time of 20 hours. The yield is about 60%.

Tetrazole can be used to produce 1-vinyl-1H-tetrazole at the temperature of 50 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is harmful by inhalation, in contact with skin and if swallowed. This substance is irritating to eyes. When heating, it may cause an explosion. It forms very sensitive explosive metallic compounds. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nnnc1
(2)Std. InChI: InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)
(3)Std. InChIKey: KJUGUADJHNHALS-UHFFFAOYSA-N

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