Sodium benzotriazol-2-ide

Basic Information

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CAS Number

15217-42-2

Molecular Formula

C6H4N3Na

Molecular Weight

141.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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C1=CC=C2C(=C1)[N-]N=N2.[Na+]

InChI

InChI=1S/C6H4N3.Na/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H;/q-1;+1

InChIKey

POCQWBKETUXWSC-UHFFFAOYSA-N

LogP

0.58700

Complexity

109

Safety Information

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Hazard Class

Class 8 Class 8

Synonyms & References

English

EC 239-269-6
NS00052280
Sodiumbenzo[d][1,2,3]triazol-1-ide
1H-Benzotriazole, sodium salt
Benzotriazole, sodium salt
sodium 1H-1,2,3-benzotriazol-1-ide
Sodium benzotriazole
1H-Benzotriazole, sodium salt (1:1)
Sodium 1,2,3-benzotriazole
sodium;benzotriazol-1-ide
Sodium 1H-benzotriazolide
1,2,3-benzotriazole sodium salt
1H-Benzotriazole sodium salt
15217-42-2
Sodium benzo[d][1,2,3]triazol-1-ide
W-108054
EINECS 239-269-6
DTXSID4065868
Sodium benzotriazolate
BENZOTRIAZOLE, SODIUM SALT
SODIUM 1,2,3-BENZOTRIAZOLE
1,2,3 Benzotriazole SodiuM Salt Solution (BTA)
1H-Benzotriazole,sodium salt (1:1)
1-Sodio-1H-benzotriazole
2-benzotriazolyl sodium
COBRATEC(R) 40 S
Einecs 239-269-6
sodium 1,2,3-benzotriazolate
Sodium 1H-benzotriazole
sodium 1H-benzotriazolide
Sodium benzotriazole,1H-Benzotriazole,sodium salt

MDL Number

MFCD00962654

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Sodium benzotriazol-2-ide (CAS: 15217-42-2)?

Sodium benzotriazol-2-ide (CAS: 15217-42-2) is a white crystalline solid with a molecular weight of approximately 209.24 g/mol. It has a solubility of about 4 g/L in water and 100 g/L in hot ethanol. It is highly reactive and used in organic synthesis as a coupling reagent. It is also a weak base and aprotic solvent.

How is Sodium benzotriazol-2-ide (CAS: 15217-42-2) typically synthesized?

Sodium benzotriazol-2-ide (CAS: 15217-42-2) is typically synthesized by the reaction of sodium hydride with 2-aminobenzene-1,3-diyl bis(triethyltin) in an inert solvent such as tetrahydrofuran (THF). The reaction is carried out under anhydrous conditions to avoid decomposition. The yield is around 70-80%.

What industries use Sodium benzotriazol-2-ide (CAS: 15217-42-2)?

Sodium benzotriazol-2-ide (CAS: 15217-42-2) is widely used in pharmaceuticals, particularly in the synthesis of pharmaceutical intermediates. It is also used in polymer chemistry for the modification of polymers and in the electronics industry for the production of semiconductors and sensors.

What precautions should be taken when handling Sodium benzotriazol-2-ide (CAS: 15217-42-2)?

Sodium benzotriazol-2-ide (CAS: 15217-42-2) should be handled with care. It is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood for handling this reagent. Spills should be cleaned up using appropriate spill response materials. It is advised to consult the Safety Data Sheet (SDS) for detailed safety information.