4-Chloro-1H-imidazole

Basic Information

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CAS Number

15965-31-8

Molecular Formula

C3H3ClN2

Molecular Weight

102.52 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

120-121 ºC

Boiling Point

295.9°C at 760 mmHg

SMILES

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C1=C(NC=N1)Cl

InChI

InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)

InChIKey

BQRBAXFOPZRMCU-UHFFFAOYSA-N

LogP

1.0631

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

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

Synonyms & References

English

AKOS006350031
NSC222413
BQRBAXFOPZRMCU-UHFFFAOYSA-N
4-Cl-pyrazole
NSC-222413
DTXSID90166705
AC-1860
5-chloroimidazole
5-chloro-1H-imidazole
A810050
4-chloroimidazole
AKOS015964929
J-009624
SB33983
J-515150
FT-0602139
AE-562/43286932
SCHEMBL361377
DS-13170
NSC 222413
F0001-0571
1H-Imidazole, 5-chloro-
CS-W018584
T0O
MFCD09033093
1H-Imidazole, 4-chloro-
MFCD09033087
SY056650
15965-31-8
4-chloro-1H-imidazole
4-Chloroimidazole

MDL Number

MFCD09033087

Customs Code

2933290090

FAQ

What regulatory guidelines apply to 4-Chloro-1H-imidazole (CAS: 15965-31-8)?

4-Chloro-1H-imidazole (CAS: 15965-31-8) falls under the regulations of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is classified as a hazardous substance. It also complies with REACH regulations in the EU, ensuring safe handling and management. Additionally, the FDA and EPA have specific guidelines for its use and disposal in the United States, focusing on environmental and occupational safety.

Are there alternatives to 4-Chloro-1H-imidazole (CAS: 15965-31-8) in synthesis?

Alternatives to 4-Chloro-1H-imidazole (CAS: 15965-31-8) in synthesis include other imidazoles such as 1-methylimidazole and 2-methylimidazole, which can serve similar functional roles. Common alternative reagents might include chloroform or other halogenated solvents, depending on the specific application. However, each alternative has its own set of advantages and limitations.

What is the market or research trend for 4-Chloro-1H-imidazole (CAS: 15965-31-8)?

The market for 4-Chloro-1H-imidazole (CAS: 15965-31-8) is driven by its applications in pharmaceuticals, agrochemicals, and materials science. Recent research trends focus on its use as a precursor in drug synthesis and as a stabilizer in various polymer systems. The demand is expected to grow with ongoing industrial and academic research, while price trends may fluctuate based on supply and demand dynamics.

How should waste containing 4-Chloro-1H-imidazole (CAS: 15965-31-8) be handled?

Waste containing 4-Chloro-1H-imidazole (CAS: 15965-31-8) should be collected in appropriate containers and disposed of according to local regulations. Incineration is a common method, but disposal by professional waste management companies is recommended to ensure compliance with environmental protection standards. Proper precautions should be taken to prevent spillage and ensure safe transportation to the disposal site.