5-Bromo-2-methyl-1H-indole

Basic Information

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CAS Number

1075-34-9

Molecular Formula

C9H8BrN

Molecular Weight

210.07 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

Physical State

White to Yellow Solid

Melting Point

104-107 °C

Boiling Point

325.1 °C at 760 mmHg

Density

1.563

Flash Point

325.1 °C at 760 mmHg

Refractive Index

1.684

SMILES

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CC1=CC2=C(N1)C=CC(=C2)Br

InChI

InChI=1S/C9H8BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3

InChIKey

BJUZAZKEDCDGRW-UHFFFAOYSA-N

LogP

3.2388200000000014

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

149

Safety Information

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Hazard Statement

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

Synonyms & References

English

AKOS009156369
DS-10712
DTXSID80407432
A2088
SY019005
5-Bromo-2-methylindole
B-8914
BJUZAZKEDCDGRW-UHFFFAOYSA-N
2-methyl-5-bromoindole
5-bromo-2-methyl-1H-indole
CS-W004633
MFCD01863677
1075-34-9
SCHEMBL10246
5-bromo-2-methyl-indole
1H-Indole, 5-bromo-2-methyl-
AMY5081
SB14904
FT-0630301
EN300-77545
5-Bromo-2-methylindole, 98%
BB 0261201
2-METHYL-5-BROMO INDOLE
5-BROMO-2-METHYLINDOLE
5-BROMO-2-METHYL-1H-INDOLE

MDL Number

MFCD01863677

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Bromo-2-methyl-1H-indole (CAS: 1075-34-9)?

5-Bromo-2-methyl-1H-indole is a crystalline solid with a molecular weight of approximately 219.03 g/mol. It has low water solubility and is slightly soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive, especially towards nucleophiles, and can undergo substitution reactions. It is stable under normal storage conditions but should be protected from light.

How is 5-Bromo-2-methyl-1H-indole (CAS: 1075-34-9) typically synthesized?

5-Bromo-2-methyl-1H-indole is commonly synthesized via alkylation of indole followed by bromination. The alkylation step often uses methyl iodide as the alkylating agent in the presence of a base like sodium hydride. Bromination is typically carried out using bromine in the presence of a Lewis acid catalyst, such as aluminum bromide, to ensure high yield and selectivity.

What industries use 5-Bromo-2-methyl-1H-indole (CAS: 1075-34-9)?

5-Bromo-2-methyl-1H-indole is used in various industries, particularly in the pharmaceutical sector for the synthesis of drug candidates. It is also utilized in the polymer industry for developing functional polymers and in the sensor industry for the fabrication of gas sensors. Additionally, it has potential applications in the semiconductor industry for creating specific materials.

What precautions should be taken when handling 5-Bromo-2-methyl-1H-indole (CAS: 1075-34-9)?

When handling 5-Bromo-2-methyl-1H-indole, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up using appropriate materials and proper disposal methods as outlined in the safety data sheet (SDS). The compound should be stored in a cool, dry place away from sources of heat and light.