4-iodo-1H-pyrazole

Basic Information

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CAS Number

3469-69-0

Molecular Formula

C3H3IN2

Molecular Weight

193.98 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

107.0 to 111.0 deg-C

Boiling Point

291.8°C at 760 mmHg

Density

2.335

Water Solubility

Soluble in water.

Flash Point

130.3℃

Refractive Index

1.688

SMILES

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C1=C(C=NN1)I

InChI

InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

InChIKey

LLNQWPTUJJYTTE-UHFFFAOYSA-N

LogP

1.0143

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

48.1

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Light Sensitive

Synonyms & References

English

InChI=1/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
AE-641/00647033
3469-69-0
J-515539
4-Iodopyrazole, 99%
BCP23197
4-Iodopyrazole
I0692
4-Iodo-1H-pyrazole
4-iodo-pyrazole
LLNQWPTUJJYTTE-UHFFFAOYSA-
SB12748
HY-I0312
FT-0600009
J-650219
4-iodo pyrazole
SY004083
Z1203162050
PD060015
BB 0258398
A6094
F33UJD465Q
NCGC00324872-01
4-iodo-1H-pyrazol
AKOS005168313
SCHEMBL71959
AS-2016
DB02721
1H-Pyrazole, 4-iodo-
AC-4433
UNII-F33UJD465Q

MDL Number

MFCD00005244

Customs Code

2933199090

FAQ

What is 4-iodo-1H-pyrazole (CAS: 3469-69-0)?

4-Iodo-1H-pyrazole (CAS: 3469-69-0) is a heterocyclic aromatic compound with the chemical formula C3H3IN3. It features a pyrazole ring functionalized with an iodine atom at the 4-position, making it a key intermediate in organic synthesis. Known for its stability and reactivity, it is commonly used in pharmaceutical and research applications due to its ability to participate in various chemical reactions.

What are the main uses of 4-iodo-1H-pyrazole (CAS: 3469-69-0)?

4-Iodo-1H-pyrazole (CAS: 3469-69-0) is widely utilized in pharmaceuticals for developing antifungal, antibacterial, and antiviral drugs. It also serves as an industrial chemical in pesticide production and as a building block for synthesizing other organic compounds. In research, it is employed in the creation of novel materials and as a precursor for medicinal chemistry studies.

Is 4-iodo-1H-pyrazole (CAS: 3469-69-0) safe?

4-Iodo-1H-pyrazole (CAS: 3469-69-0) requires careful handling due to its potential toxicity. Inhalation, ingestion, or skin contact may cause irritation. Safety measures include wearing protective gear, ensuring proper ventilation, and following OSHA guidelines. It is classified as a hazardous substance, necessitating adherence to standard chemical safety protocols for storage and disposal.

How should 4-iodo-1H-pyrazole (CAS: 3469-69-0) be stored?

4-Iodo-1H-pyrazole (CAS: 3469-69-0) should be stored in a sealed, airtight container in a cool (2-8°C), dry, and dark environment to maintain stability. Avoid exposure to moisture, heat, and direct light. It is recommended to store away from incompatible materials and to keep in a well-ventilated area to prevent degradation or hazardous reactions.