2-Propyl-1H-benzimidazole

Basic Information

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CAS Number

5465-29-2

Molecular Formula

C10H12N2

Molecular Weight

160.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

348.8°C at 760 mmHg

Flash Point

179.4℃

SMILES

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CCCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)

InChIKey

FBLJZPQLNMVEMR-UHFFFAOYSA-N

LogP

2.5154000000000005

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

147

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

Q-101094
Z55692902
2-Propyl-1H-benzimidazole #
AM20040687
DS-0770
HMS1408I14
SCHEMBL612507
1H-Benzimidazole, 2-propyl-
Enamine_005118
DTXSID30203108
5465-29-2
A15643
2-Propylbenzimidazole
2-propyl-1H-benzo[d]imidazole;2-Propylbenzimidazole
InChI=1/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12
NSC40172
NSC28962
CHEMBL348508
2-Propyl-1H-benzimidazole
NCGC00246151-01
EN300-02976
CS-W002355
BENZIMIDAZOLE, 2-PROPYL-
BRN 0118511
MFCD00087477
MLS000564234
F0293-0118
SMR000151838
ZAS7IXN9P8
NSC-40172
BCP26962

MDL Number

MFCD00087477

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-Propyl-1H-benzimidazole (CAS: 5465-29-2)?

2-Propyl-1H-benzimidazole (CAS: 5465-29-2) falls under the classification of a pharmaceutical intermediate. It is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) and may also be subject to the REACH regulations in the European Union. FDA and EPA regulations may apply if the compound is intended for use in pharmaceuticals or consumer products. Ensure compliance with local and national regulations regarding handling and disposal.

Are there alternatives to 2-Propyl-1H-benzimidazole (CAS: 5465-29-2) in synthesis?

Several alternatives to 2-Propyl-1H-benzimidazole (CAS: 5465-29-2) can be used in synthesis, depending on the specific application. Common analogs include 2-Phenyl-1H-benzimidazole and 2-Methyl-1H-benzimidazole. Isomers such as cis- and trans-configurations may also be used. Substitutes may include other benzimidazole derivatives or related compounds like imidazoles, depending on the desired properties and reactivity.

What is the market or research trend for 2-Propyl-1H-benzimidazole (CAS: 5465-29-2)?

The market for 2-Propyl-1H-benzimidazole (CAS: 5465-29-2) is growing due to its application in pharmaceuticals, particularly in the development of antifungal and antiviral drugs. Research trends focus on synthesizing and testing derivatives for improved efficacy and reduced side effects. The price and demand are expected to increase as more pharmaceutical companies explore its potential for new drug candidates.

How should waste containing 2-Propyl-1H-benzimidazole (CAS: 5465-29-2) be handled?

Waste containing 2-Propyl-1H-benzimidazole (CAS: 5465-29-2) should be collected in appropriate containers labeled with the chemical name and CAS number. Incineration is a common method for disposal, but ensure compliance with local regulations. For hazardous waste, professional waste disposal services should be used. Implement proper environmental protection precautions, such as wearing appropriate PPE and following safe handling procedures to prevent exposure and contamination.