3-Methyl-1H-indol-5-ol

Basic Information

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CAS Number

1125-40-2

Molecular Formula

C9H9NO

Molecular Weight

147.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

114-115 ºC

SMILES

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CC1=CNC2=C1C=C(C=C2)O

InChI

InChI=1S/C9H9NO/c1-6-5-10-9-3-2-7(11)4-8(6)9/h2-5,10-11H,1H3

InChIKey

NPHFOFOYWYLBTF-UHFFFAOYSA-N

LogP

2.1819199999999994

Topological Polar Surface Area

36.019999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

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

AS-10138
AMY10865
INDOL-5-OL, 3-METHYL-
SB14924
A26277
O11032
NPHFOFOYWYLBTF-UHFFFAOYSA-N
1H-Indol-5-ol, 3-methyl-
5-Hydroxy-3-methylindole
AKOS006348082
3-methyl-5-hydroxyindole
MFCD03095210
FT-0741760
5-hydroxyskatole
CS-0187831
W-200842
LUMOGEN NO. 1
DTXSID60150075
UNII-21QUG33SLM
21QUG33SLM
1125-40-2
SCHEMBL664847
Q27253571
3-Methyl-1H-indol-5-ol
1H-Indol-5-ol,3-methyl-
3-methyl-1H-indol-5-ol

MDL Number

MFCD03095210

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 3-Methyl-1H-indol-5-ol (CAS: 1125-40-2)?

3-Methyl-1H-indol-5-ol (CAS: 1125-40-2) is classified under GHS as a skin irritant and requires appropriate labeling. It must comply with REACH regulations, particularly regarding the reporting of substances produced or imported above one tonne per year. FDA and EPA have no specific regulatory requirements for this compound, but general guidelines on the safe handling and disposal of chemicals must be followed.

Are there alternatives to 3-Methyl-1H-indol-5-ol (CAS: 1125-40-2) in synthesis?

Several alternatives can be used in the synthesis of 3-Methyl-1H-indol-5-ol (CAS: 1125-40-2), such as 3-Methylindole or 1H-indol-5-ol. Isomers like 3-Amino-1H-indol-5-ol can also serve as substitutes. Common alternative reagents include methyl iodide and indole-3-carboxylic acid, which can be used in modified synthesis routes.

What is the market or research trend for 3-Methyl-1H-indol-5-ol (CAS: 1125-40-2)?

Research on 3-Methyl-1H-indol-5-ol (CAS: 1125-40-2) is primarily focused on its potential as a pharmaceutical intermediate and in natural product synthesis. Market trends indicate increasing interest in sustainable and green chemistry approaches for its production. Emerging research is exploring its use in drug discovery and as a precursor for bioactive compounds.

How should waste containing 3-Methyl-1H-indol-5-ol (CAS: 1125-40-2) be handled?

Waste containing 3-Methyl-1H-indol-5-ol (CAS: 1125-40-2) should be collected in appropriate containers and stored in a secure location. It can be incinerated or disposed of through professional waste disposal services. Ensure that all waste handling follows local environmental protection regulations and guidelines to prevent environmental contamination. Personal protective equipment (PPE) should be worn during handling to protect against skin contact and inhalation.