5-Chloro-3-methyl-1H-indole

Name: 5-Chloro-3-methyl-1H-indole
Brand: ChemScene
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CAS No. 71095-42-6
Cat. No. CS-0050527
Purity≥96%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 71095-42-6

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Description

5-Chloro-3-methyl-1H-indole delivers a sterically accessible indole scaffold with enhanced electronic modulation from the chloro and methyl substituents. This bench-stable heterocycle integrates readily into bioactive molecule architectures, particularly in medicinal chemistry scaffolds requiring halogenated aromatic systems.

Application

5-Chloro-3-methyl-1H-indole serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C3 position and facilitating C–H arylation or cross-coupling reactions. Its electron-deficient indole core enhances reactivity in Pd-catalyzed transformations, while the chloro and methyl groups provide orthogonal handles for further derivatization. Bench-stable and readily purified by column chromatography, it functions efficiently in the synthesis of heterocyclic scaffolds relevant to pharmaceutical discovery.

General Information

CAS No. 71095-42-6
Cat. No. CS-0050527
Purity ≥96%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈ClN
Molecular Weight 165.62
Synonym(s) 5-CHLORO-3-METHYLINDOLE
SMILES CC1=CNC2=CC=C(Cl)C=C12

Computational Chemistry Data

TPSA 15.79
LogP 3.12972
H_Acceptors 0
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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5-Chloro-3-methyl-1H-indole

CAS No. 71095-42-6

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