3,5-Dibromo-1-methyl-1H-1,2,4-triazole

Basic Information

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CAS Number

23579-79-5

Molecular Formula

C3H3Br2N3

Molecular Weight

240.89 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

SMILES

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Cn1nc(Br)nc1Br

InChI

InChI=1S/C3H3Br2N3/c1-8-3(5)6-2(4)7-8/h1H3

InChIKey

OAPQSGTTZLYWJB-UHFFFAOYSA-N

LogP

1.3401

Topological Polar Surface Area

30.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

88.6

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3,5-Dibromo-1-methyl-1H-1,2,4-triazole
3,5-Dibrom-1-methyl-1,2,4-triazol
3,5-dibromo-1-methyl-1H-[1,2,4]triazole
3,5-dibromo-1-methyl-1,2,4-triazole
1H-1,2,4-Triazole, 3,5-dibromo-1-methyl-
PubChem19683
C3H3Br2N3
OAPQSGTTZLYWJB-UHFFFAOYSA-N
SBB054618
BBL019171
STK361423
1599AB
AK101353
BC004463
AB0094197
1-Methyl-3,5-dibromo-1H-1,2,4-triazole
ST24041182
3,5-二溴-1-甲基-1,2,4-三氮唑

MDL Number

MFCD09426402

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3,5-Dibromo-1-methyl-1H-1,2,4-triazole (CAS: 23579-79-5)?

3,5-Dibromo-1-methyl-1H-1,2,4-triazole (CAS: 23579-79-5) is a crystalline solid with a molecular weight of approximately 242.04 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is known for its reactivity towards nucleophiles, making it useful in various synthetic applications.

How is 3,5-Dibromo-1-methyl-1H-1,2,4-triazole (CAS: 23579-79-5) typically synthesized?

3,5-Dibromo-1-methyl-1H-1,2,4-triazole is commonly synthesized through a multistep process involving the reaction of 1-methyl-1,2,4-triazole with bromine. The reaction is catalyzed by a Lewis acid such as aluminum bromide, leading to a high yield of the desired product.

What industries use 3,5-Dibromo-1-methyl-1H-1,2,4-triazole (CAS: 23579-79-5)?

3,5-Dibromo-1-methyl-1H-1,2,4-triazole (CAS: 23579-79-5) finds applications in the pharmaceutical industry, where it serves as an intermediate in the synthesis of various drugs. It is also used in the polymer industry for the modification of polymers, and in the electronics sector for the production of certain semiconductors.

What precautions should be taken when handling 3,5-Dibromo-1-methyl-1H-1,2,4-triazole (CAS: 23579-79-5)?

When handling 3,5-Dibromo-1-methyl-1H-1,2,4-triazole (CAS: 23579-79-5), it is essential to wear appropriate personal protective equipment, including gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate methods and personal protective equipment. Always consult the Safety Data Sheet (SDS) for detailed information on safe handling and disposal.