2-Ethyl-1H-benzimidazole

Basic Information

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CAS Number

1848-84-6

Molecular Formula

C9H10N2

Molecular Weight

146.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

173.0 to 177.0 deg-C

Boiling Point

255.81°C (rough estimate)

Flash Point

179.4 °C

Refractive Index

1.5600 (estimate)

SMILES

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CCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)

InChIKey

QHCCOYAKYCWDOJ-UHFFFAOYSA-N

LogP

2.1253

pKa

6.18(at 25℃)

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

136

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SY015992
1H-Benzimidazole, 2-ethyl-
2-ethyl-1H-benzo[d]imidazole
BRN 0116484
AS-12145
EINECS 217-433-8
BB 0240432
2-Ethylbenzimidazole
2-Ethyl-1H-benzimidazole
2-ethyl benzimidazole
MFCD00022684
NSC-38878
2-Ethylbenzimidazole;2-Ethyl-1H-benzo[d]imidazole
2-Ethyl-1H-benzimidazole;1H-Benzimidazole, 2-ethyl-
NSC38878
InChI=1/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11
BCP27456
F0853-0447
AKOS000275562
Enamine_005373
SMR000137092
A15329
CS-0030568
NSC28961
NSC-28961
BDBM50404858
HMS1409E05
EN300-16422
AM20030215
MLS000532151
NSC 38878

MDL Number

MFCD00022684

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Ethyl-1H-benzimidazole (CAS: 1848-84-6)?

2-Ethyl-1H-benzimidazole (CAS: 1848-84-6) is a crystalline solid with a molecular weight of approximately 168.24 g/mol. It has a melting point around 112-113°C and is slightly soluble in water. The compound exhibits good solubility in organic solvents such as methanol and ethanol. It is relatively stable, but can react with strong oxidizing agents. Its reactivity is influenced by the presence of the ethyl group, which affects its biological and chemical properties.

How is 2-Ethyl-1H-benzimidazole (CAS: 1848-84-6) typically synthesized?

2-Ethyl-1H-benzimidazole is typically synthesized by the condensation of ethylamine with 1H-benzimidazole. This reaction is usually conducted under mild conditions, often in the presence of a suitable catalyst such as an acid or base. The yield and selectivity can be optimized based on the choice of reagents and reaction conditions. Detailed synthesis protocols can be found in chemical literature.

What industries use 2-Ethyl-1H-benzimidazole (CAS: 1848-84-6)?

2-Ethyl-1H-benzimidazole (CAS: 1848-84-6) is used in various industries, including pharmaceuticals, where it serves as a precursor for certain drugs. It is also utilized in the production of polymer stabilizers, sensors, and in the semiconductor industry as a component in certain processes. Its applications are diverse due to its chemical stability and reactivity.

What precautions should be taken when handling 2-Ethyl-1H-benzimidazole (CAS: 1848-84-6)?

When handling 2-Ethyl-1H-benzimidazole (CAS: 1848-84-6), it is essential to follow standard laboratory safety practices. Use personal protective equipment (PPE) such as gloves and safety goggles. Work in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbents. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency response instructions.