4-Chloro-N-[(1H-imidazol-2-yl)methyl]aniline

Basic Information

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CAS Number

166096-16-8

Molecular Formula

C10H10ClN3

Molecular Weight

207.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=CC=C1NCC2=NC=CN2)Cl

InChI

InChI=1S/C10H10ClN3/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h1-6,14H,7H2,(H,12,13)

InChIKey

SIFYJEQOTXUWFR-UHFFFAOYSA-N

LogP

2.6752000000000002

Topological Polar Surface Area

40.71 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

169

Synonyms & References

English

(4-chloro-phenyl)-(1h-imidazol-2-ylmethyl)-amine
4-chloro-N-(1H-imidazol-2-ylmethyl)aniline
(4-chlorophenyl)(1H-imidazol-2-ylmethyl)amine
4-chlorophenyl-1H-imidazol-2-ylmethylamine
AG-E-15636
CTK4D2247
KB-208070
N-(4-Chlorophenyl)-N-[(1H-imidazol-2yl)methyl]amine
N-(4-Chlorophenyl)-N-[(1H-imidazol-2-yl)methyl]amine
N-(4-Chlorophenyl)-N-[(1H-imidazol-2-yl)methyl]-amine
SureCN2469427
N-(1H-Imidazol-2-ylmethyl)-4-chloroaniline
N-((1H-Imidazol-2-yl)methyl)-4-chloroaniline
4-Chloro-N-[(1H-imidazol-2-yl)methyl]aniline
1H-Imidazole-2-methanamine, N-(4-chlorophenyl)-
SIFYJEQOTXUWFR-UHFFFAOYSA-N
N-(4-Chlorophenyl)-1H-imidazole-2-methanamine
(4-c
(4-CHLORO-PHENYL)-(1H-IMIDAZOL-2-YLMETHYL)-AMINE
4-Chlorophenyl-1H-imidazol-2-ylmethylamine
CS-M3435
C12994
EN300-168111
CS-15038
MFCD08668354
SCHEMBL2469427
AKOS010820197
166096-16-8
DTXSID40445714
AMY6877

MDL Number

MFCD08668354

FAQ

What are the physical and chemical properties of 4-Chloro-N-[(1H-imidazol-2-yl)methyl]aniline (CAS: 166096-16-8)?

4-Chloro-N-[(1H-imidazol-2-yl)methyl]aniline (CAS: 166096-16-8) is a crystalline solid with a molecular weight of approximately 224.61 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and acetone. The compound is known for its reactivity, particularly towards nucleophilic substitution and electrophilic aromatic substitution reactions.

How is 4-Chloro-N-[(1H-imidazol-2-yl)methyl]aniline (CAS: 166096-16-8) typically synthesized?

4-Chloro-N-[(1H-imidazol-2-yl)methyl]aniline (CAS: 166096-16-8) is typically synthesized through a multi-step process involving the coupling of 4-chloroaniline with 2-imidazolmethanol in the presence of a catalyst such as sodium hydride. The yield is usually high, and the reaction is selective, making it a reliable method for preparing this compound.

What industries use 4-Chloro-N-[(1H-imidazol-2-yl)methyl]aniline (CAS: 166096-16-8)?

4-Chloro-N-[(1H-imidazol-2-yl)methyl]aniline (CAS: 166096-16-8) finds application in pharmaceuticals, where it serves as a precursor for the synthesis of certain antiviral and antifungal agents. It is also used in the production of organic semiconductors and sensors due to its unique chemical properties.

What precautions should be taken when handling 4-Chloro-N-[(1H-imidazol-2-yl)methyl]aniline (CAS: 166096-16-8)?

When handling 4-Chloro-N-[(1H-imidazol-2-yl)methyl]aniline (CAS: 166096-16-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up promptly using appropriate absorbents, and the Material Safety Data Sheet (MSDS) should be consulted for specific safety guidelines.