ChemicalBook--->CAS DataBase List--->288-94-8

288-94-8

288-94-8 Structure

288-94-8 Structure
IdentificationMore
[Name]

Tetrazole
[CAS]

288-94-8
[Synonyms]

1H-1,2,3,4-TETRAAZOLE
1H-1,2,3,4-TETRAZOLE
1H-TETRAZOLE
2H-TETRAZOLE
TETRAZOLE
1,2,3,4-tetrazole
1H-Tetraazole
1tetrazole
Tetraazacyclopentadiene
Tetrazole solution
Tetrazole,98%
TETRAZOLE SOLUTION, FOR SYNTHESIS,
1H-TETRAZOLE SUBLIMED
1H-TETRAZOLE, SUBLIMED, 99+%
TETRAZOLE SOLUTION, FOR DNA SYNTHESIS, 0 .45 M IN ACETON.
TETRAZOLE SOLUTION REAGENT GRADE 3 WT&
1H-TETRAZOLE, 3 WT. % SOLUTION IN ACETONITRILE
1H-TetrazoleForDNASynthesis(Amiditeactivator)
1H-TetrazoleForDnaSynthesis
1H-Tetrazole,98+%
[EINECS(EC#)]

206-023-4
[Molecular Formula]

CH2N4
[MDL Number]

MFCD00005247
[Molecular Weight]

70.05
[MOL File]

288-94-8.mol
Chemical PropertiesBack Directory
[Appearance]

white crystals or crystalline powder
[Melting point ]

156-158°C
[Boiling point ]

220℃
[density ]

0.798 g/mL at 20 °C
[refractive index ]

n20/D 1.348
[RTECS ]

UW7370000
[Fp ]

5 °C
[storage temp. ]

Room temperature.
[solubility ]

DMSO, Methanol
[form ]

Liquid
[pka]

4.9(at 25℃)
[color ]

Cream to orange
[Water Solubility ]

Soluble
[Decomposition ]

220°C
[BRN ]

105799
[Stability:]

Stable at RT
[InChI]

1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)
[InChIKey]

KJUGUADJHNHALS-UHFFFAOYSA-N
[SMILES]

c1nnn[nH]1
[CAS DataBase Reference]

288-94-8(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Tetrazole(288-94-8)
[EPA Substance Registry System]

288-94-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H303-H312-H225-H302-H319-H332
[Precautionary statements ]

P210-P305+P351+P338-P261-P280-P303+P361+P353-P501a
[Hazard Codes ]

F,Xn
[Risk Statements ]

R11:Highly Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36:Irritating to the eyes.
R5:Heating may cause an explosion.
R4:Forms very sensitive explosive metallic compounds.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1993 3/PG 2
[WGK Germany ]

3
[F ]

3-4.15-10
[HazardClass ]

4.1
[PackingGroup ]

III
[HS Code ]

29339900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1H-Tetrazole-5-carboxylic acid-->tetrazolo[1,5-a]pyridine-7-carboxylic acid
[Preparation Products]

Cefoperazone-->Irbesartan-->Cilostazol-->Cefteram-->Valsartan-->Ropinirole-->2H-Tetrazol-2-amine-->2H-Tetrazole, 2-methyl-
Hazard InformationBack Directory
[General Description]

1H-TETRAZOLE(288-94-8) is an odorless white to light-yellow crystalline powder. Mp:1 55-157°C. When heated to decomposition 1H-TETRAZOLE(288-94-8) emits toxic oxides of nitrogen fumes. Can explode if exposed to shock or heat from friction or fire. The primary hazard is from blast effect where the entire load can explode instantaneously and not from flying projectiles and fragments.
[Health Hazard]

Fire may produce irritating, corrosive and/or toxic gases.
[Fire Hazard]

MAY EXPLODE AND THROW FRAGMENTS 1600 meters (1 MILE) OR MORE IF FIRE REACHES CARGO.
[Chemical Properties]

white crystals or crystalline powder
[Uses]

A catalyst for phosphoramidite synthesis.
[Application]

1H-Tetrazole is used as a bioisostere for the carboxylate group. It is also used as coupling reagent for preparation of polynucleotides.
[Definition]

ChEBI: A tetrazole tautomer where the proton is located on the 1st position.
[Preparation]

The first tetrazole synthesis was reported in 1885.
Tetrazole Synthesis: Nano-TiCl4.SiO2 (0.1 g) was added to a mixture of benzonitrile (1 mmol), sodium azide (2 mmol) in DMF (5 mL) at reflux for 2 h. After completion of reaction (as monitored by TLC), the mixture was allowed to cool to room temperature, the catalyst was removed by filtration. Then by adding ice water and 4N HCl (5 mL) to the residue, a white solid was obtained. This was then washed with cold chloroform. This simple procedure yielded pure tetrazole with good yields.
[Purification Methods]

Crystallise the tetrazole from EtOH and sublime it under high vacuum at ca 120o (care should be taken due to possible EXPLOSION). [Beilstein 26 H 346, 26 I 108, 26 II 196, 26 III/IV 1652.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1H-Tetrazole(288-94-8).msds
Questions And AnswerBack Directory
[Description]

Tetrazole is a class of synthetic organic heterocyclic compound containing a 5-member ring of four nitrogen atoms and one carbon atom. It appears as an odorless white to light-yellow crystalline powder. It has several pharmaceutical applications. Tetrazole compound can act as a bioisotere for the carboxylate group, angiotensin II receptor blockers such as losartan and candesartan as well as dimethyl thiazolyl diphenyl tetrazolium bromide (MTT), which can be used in MTT assay for quantifying the respiratory activity of liver cells. It can also be used in DNA assays. In addition, Tetrazole derivatives have also been used in explosives such as TNT or high performance solid rocket propellant formulations. Tetrazole can be synthesized through the reaction between anhydrous hydrazoic acid and hydrogen cyanide under pressure.
[References]

https://en.wikipedia.org/wiki/Tetrazole
https://pubchem.ncbi.nlm.nih.gov/compound/1H-Tetrazole#section=Information-Sources
Spectrum DetailBack Directory
[Spectrum Detail]

Tetrazole(288-94-8)MS
Tetrazole(288-94-8)1HNMR
Tetrazole(288-94-8)13CNMR
Tetrazole(288-94-8)IR1
Tetrazole(288-94-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

288-94-8(sigmaaldrich)
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