3,4,5-Tribromo-1H-pyrazole

Basic Information

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CAS Number

17635-44-8

Molecular Formula

C3HBr3N2

Molecular Weight

304.77 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

Melting Point

186.0 to 190.0 deg-C

Boiling Point

381.5°C at 760 mmHg

Density

2.782 g/cm3

Water Solubility

Insoluble in water. Soluble in Chloroform.

Flash Point

184.5℃

Refractive Index

1.689

SMILES

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C1(=C(NN=C1Br)Br)Br

InChI

InChI=1S/C3HBr3N2/c4-1-2(5)7-8-3(1)6/h(H,7,8)

InChIKey

TXQKCKQJBGFUBF-UHFFFAOYSA-N

LogP

2.6972

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

88.6

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

Synonyms & References

English

T2777
3,4,5-Tribromo-1H-pyrazole
CCG-2020
17635-44-8
3,4,5-Tribromopyrazole
CS-W002185
3,4,5-Tribromo-1H-pyrazole #
AM81994
EN300-117519
Pyrazole, 3,4,5-tribromo-
DTXSID30347899
AKOS015900699
W-206237
SY007965
1H-Pyrazole, 3,4,5-tribromo-
AS-15913
SCHEMBL174622
MFCD00040248
AC-4813
3,4,5-Tribromo pyrazole
FT-0614127
3,4,5-Tribromopyrazo
3,4,5-Tribromopyrazol
3,4,5-Tribromopyrazole, 97+%
3,4,5-TribroMo-1H-pyrazole, 97%, 97%
TXQKCKQJBGFUBF-UHFFFAOYSA-N
KSC497I1H
STK328056
SBB054441
BBL100174
RP06854

MDL Number

MFCD00040248

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 3,4,5-Tribromo-1H-pyrazole (CAS: 17635-44-8)?

3,4,5-Tribromo-1H-pyrazole (CAS: 17635-44-8) is a crystalline solid with a high melting point and molecular weight of 291.06 g/mol. It is poorly soluble in water but soluble in common organic solvents like ethanol and acetone. Chemically, it is highly reactive due to the presence of bromine atoms, which can undergo substitution reactions under certain conditions.

How is 3,4,5-Tribromo-1H-pyrazole (CAS: 17635-44-8) typically synthesized?

3,4,5-Tribromo-1H-pyrazole is typically synthesized via bromination of pyrazole using bromine in the presence of a Lewis acid catalyst like aluminum bromide. The reaction is carried out in a solvent such as dichloromethane, and the product is obtained with good yield and good selectivity.

What industries use 3,4,5-Tribromo-1H-pyrazole (CAS: 17635-44-8)?

3,4,5-Tribromo-1H-pyrazole (CAS: 17635-44-8) is used in the pharmaceutical industry for the synthesis of intermediates and active pharmaceutical ingredients. It is also used in the polymer industry for flame retardant applications and in the semiconductor industry for its unique electronic properties.

What precautions should be taken when handling 3,4,5-Tribromo-1H-pyrazole (CAS: 17635-44-8)?

When handling 3,4,5-Tribromo-1H-pyrazole (CAS: 17635-44-8), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be handled in a well-ventilated area or a fume hood due to its reactivity. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.