4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole

Basic Information

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CAS Number

82099-98-7

Molecular Formula

C8H11BrN2O

Molecular Weight

231.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

328.5°C at 760 mmHg

Density

1.493 g/mL at 25 °C

Refractive Index

1.644

SMILES

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C1CCOC(C1)N2C=C(C=N2)Br

InChI

InChI=1S/C8H11BrN2O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2

InChIKey

HDNCEUNJWJHWMO-UHFFFAOYSA-N

LogP

2.3447000000000005

Topological Polar Surface Area

27.05 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

156

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

EN300-160434
4-Bromo-1-(tetrahydropyran-2-yl)pyrazole
MFCD12026052
4-Bromo-1-(2-tetrahydropyranyl)pyrazole
4-bromo-1-tetrahydropyran-2-yl-pyrazole
SCHEMBL584036
AM80901
4-BROMO-1-(OXAN-2-YL)-1H-PYRAZOLE
CS-0053983
J-514528
1H-Pyrazole, 4-bromo-1-(tetrahydro-2H-pyran-2-yl)-
HDNCEUNJWJHWMO-UHFFFAOYSA-N
DTXSID60675071
BCP34383
AKOS015834933
A864458
4-BROMO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-PYRAZOLE
LCZC3259
FS-3382
SY029399
82099-98-7
FT-0710567
4-bromo-1-(oxan-2-yl)pyrazole
AC-31246
CS1584
4-Bromo-1-(tetrahydro-2H-pyran-2-yl-1H)-pyrazole
4-Bromo-1-(2-tetrahydropyranyl)pyrazole, 96%
4-BROMO-1-(TETRAHYDRO-PYRAN-2-YL)-1H-PYRAZOLE
PB33039
4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
4-Bromo-1-(tetrahydro-pyran-2-yl)-1H-pyrazole

MDL Number

MFCD12026052

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole (CAS: 82099-98-7)?

4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole (CAS: 82099-98-7) is a crystalline solid with a molecular weight of approximately 262.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and dichloromethane. This compound exhibits moderate reactivity and is susceptible to bromine substitution reactions. It is stable under normal laboratory conditions but should be stored in a dry, cool place away from direct sunlight.

How is 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole (CAS: 82099-98-7) typically synthesized?

4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole (CAS: 82099-98-7) is typically synthesized via a multistep process involving the reaction of 1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole with bromine in the presence of a suitable base like sodium hydroxide. The reaction proceeds with good yield and high selectivity, making it a common method in the literature for preparing this compound.

What industries use 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole (CAS: 82099-98-7)?

4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole (CAS: 82099-98-7) finds applications in pharmaceuticals, where it serves as a precursor for the synthesis of various drugs. It is also used in the field of polymer chemistry for the development of functional polymers and in the manufacturing of sensors due to its unique chemical properties.

What precautions should be taken when handling 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole (CAS: 82099-98-7)?

When handling 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole (CAS: 82099-98-7), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a well-ventilated area and handled inside a fume hood to prevent inhalation. In the event of a spill, it should be cleaned up using standard procedures and disposing of waste materials in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.