2-Chloro-5-methyl-1H-benzo[d]imidazole

Name: 2-Chloro-5-methyl-1H-benzo[d]imidazole
Brand: ChemScene
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CAS No. 4887-94-9
Cat. No. CS-0152916
Purity≥97%
MDL No.MFCD11046672

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-Chloro-5-methyl-1H-benzo[d]imidazole|CS-0152916

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General Information

CAS No. 4887-94-9
Cat. No. CS-0152916
Purity ≥97%
MDL No. MFCD11046672
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇ClN₂
Molecular Weight 166.61
Synonym(s) 2-chloro-6-methyl-1H-benzo[d]imidazole
SMILES CC1=CC2=C(C=C1)N=C(Cl)N2

Description

2-Chloro-5-methyl-1H-benzo[d]imidazole features a fused bicyclic core with complementary electron-withdrawing and electron-donating substituents, enabling robust coupling reactions in synthetic medicinal chemistry. This bench-stable heterocycle integrates readily into bioactive scaffolds requiring halogen-directed functionalization.

Application

2-Chloro-5-methyl-1H-benzo[d]imidazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient construction of bioactive scaffolds. Its electrophilic chlorine and electron-rich aromatic system facilitate palladium-catalyzed cross-coupling reactions, while the methyl group provides a handle for further functionalization. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthesis workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07,GHS09
Signal Word : Warning	UN#: 3077
Class : 9	Packing Group : Ⅲ
Hazard Statements : H315-H317-H319-H410
Precautionary Statements : P261-P264-P272-P273-P280-P302+P352-P362-P391-P501

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Computational Chemistry Data

TPSA 28.68
LogP 2.52472
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Key Words

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2-Chloro-5-methyl-1H-benzo[d]imidazole

CAS No. 4887-94-9

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