5-(2-Bromophenyl)-1H-tetrazole

Basic Information

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CAS Number

73096-42-1

Molecular Formula

C7H5BrN4

Molecular Weight

225.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

182-184 °C

Density

1.8047 (rough estimate)

Flash Point

189.2℃

Refractive Index

1.6700 (estimate)

SMILES

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C1=CC=C(C(=C1)C2=NNN=N2)Br

InChI

InChI=1S/C7H5BrN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)

InChIKey

YHVBXKTXLJTDRI-UHFFFAOYSA-N

LogP

1.6291999999999995

Complexity

154

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

A837934
2-Bromo-1-(tetrazol-5-yl)benzene
5-(2-Bromophenyl)-1H-tetrazole
73096-42-1
5-(2-bromophenyl)-1(h)-tetrazole
5-(2-Bromophenyl)tetrazole
5-(2-Bromophenyl)-[1H]-tetrazole
NS00126924
FT-0601034
CHEMBL5178125
5-(2-bromophenyl)-1H-tetraazole
1-Bromo(1H-tetrazol-5-yl)benzene
SCHEMBL704887
AC-1082
5-(o-bromophenyl)-1h-tetrazole
5-(2-bromophenyl)-2H-1,2,3,4-tetrazole
5-(2-Bromo-Phenyl)-2H-Tetrazole
DTXSID90339997
5-(2-bromophenyl)-2H-tetrazole
AB28590
FS-1611
Z56969325
AMY13246
1H-Tetrazole, 5-(2-bromophenyl)-
BCP21514
InChI=1/C7H5BrN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12
BDBM50591352
5-(2-Bromophenyl)-1H-tetrazole, 98%
AKOS000277864
5-(2-bromophenyl)-1H-1,2,3,4-tetrazole
EN300-17633

MDL Number

MFCD00151799

Customs Code

29339990

FAQ

What are the physical and chemical properties of 5-(2-Bromophenyl)-1H-tetrazole (CAS: 73096-42-1)?

5-(2-Bromophenyl)-1H-tetrazole is a crystalline solid with a molecular weight of approximately 258.03 g/mol. It has poor water solubility but is soluble in organic solvents like dimethyl sulfoxide (DMSO). The compound is known for its stability and low reactivity. It is often used as a building block in organic synthesis due to its functional groups.

How is 5-(2-Bromophenyl)-1H-tetrazole (CAS: 73096-42-1) typically synthesized?

5-(2-Bromophenyl)-1H-tetrazole is synthesized by reacting 2-bromoaniline with sodium tetrazole in an aqueous medium. Common solvents include water or DMSO. The reaction is typically carried out at room temperature with good yield and selectivity. The method involves basic conditions and is often performed in a single step.

What industries use 5-(2-Bromophenyl)-1H-tetrazole (CAS: 73096-42-1)?

5-(2-Bromophenyl)-1H-tetrazole is used in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in the polymer industry for the production of functional polymers. In addition, it is employed in the development of sensors and semiconductors due to its unique electronic and structural properties.

What precautions should be taken when handling 5-(2-Bromophenyl)-1H-tetrazole (CAS: 73096-42-1)?

When handling 5-(2-Bromophenyl)-1H-tetrazole, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.