ChemicalBook CAS DataBase List 288-94-8

288-94-8

Name	Tetrazole
CAS	288-94-8
EINECS(EC#)	206-023-4
Molecular Formula	CH2N4
MDL Number	MFCD00005247
Molecular Weight	70.05
MOL File	288-94-8.mol

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+%

Chemical Properties

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 Data

Symbol(GHS)	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. less more
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 . less more
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 Products

Hazard Information

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)

Questions And Answer

Spectrum Detail

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288-94-8

Chemical Properties

Safety Data

Raw materials And Preparation Products

Preparation Products

Hazard Information

General Description

Health Hazard

Fire Hazard

Chemical Properties

Uses

Application

Definition

Preparation

Purification Methods

Material Safety Data Sheet(MSDS)

Questions And Answer

Description

References

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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