1,2,3,3-Tetramethyl-3H-indolium iodide

Basic Information

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CAS Number

5418-63-3

Molecular Formula

C12H16IN

Molecular Weight

301.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

258 ºC (dec.)

SMILES

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CC1=[N+](C2=CC=CC=C2C1(C)C)C.[I-]

InChI

InChI=1S/C12H16N.HI/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h5-8H,1-4H3;1H/q+1;/p-1

InChIKey

HCYIOKVZAATOEW-UHFFFAOYSA-M

LogP

-0.32470

Complexity

250

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

Sensitiveness

对光线敏感

Synonyms & References

English

BCP31259
3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)
N-methyl-2,3,3-trimethyl[3H]indolium iodide
3H-Indolium,1,2,3,3-tetramethyl-, iodide
3H-Indolium,2,3,3-tetramethyl-, iodide
3H-Indolium, 1,2,3,3-tetramethyl-, iodide
CS-W009434
NS00043236
N-methyl-2,3,3-trimethyl [3H] indolium iodide
ZB0952
1,2,3,3-tetramethylindol-1-ium;iodide
BP-22914
1,2,3,3-Tetramethyl-3H-indolium iodide
2,3,4-Tetramethylbenzazolium iodide
H10787
W-105662
1,2,3,3-Tetramethyl-3H-indolium iodide, 98%
1,2,3,3-Tetramethyl-1-indolium Iodide
EINECS 226-526-2
1,2,3,3-tetramethyl-3H-indol-1-ium iodide
CHEMBL2393299
HCYIOKVZAATOEW-UHFFFAOYSA-M
5418-63-3
DTXSID30883489
MFCD00013333
SY066669
A830019
AKOS002318819
1,2,3,3-Tetramethyl-3H-indoliumiodide
FT-0635691
SCHEMBL1865228

MDL Number

MFCD00013333

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1,2,3,3-Tetramethyl-3H-indolium iodide (CAS: 5418-63-3)?

1,2,3,3-Tetramethyl-3H-indolium iodide (CAS: 5418-63-3) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous properties. It must comply with REACH regulations for European Union (EU) manufacturers and importers. FDA and EPA have specific guidelines for the handling and disposal of this compound in the US. It is important to consult the Material Safety Data Sheet (MSDS) for detailed information on safe handling and storage.

Are there alternatives to 1,2,3,3-Tetramethyl-3H-indolium iodide (CAS: 5418-63-3) in synthesis?

Several alternatives can be used in the synthesis of 1,2,3,3-Tetramethyl-3H-indolium iodide (CAS: 5418-63-3). For example, 1-methyl-2,3-dimethylindolinium iodide or 1,2,3-trimethyl-3H-indolium iodide are often used as viable substitutes. The choice of alternative reagents depends on the specific reaction conditions and desired product purity.

What is the market or research trend for 1,2,3,3-Tetramethyl-3H-indolium iodide (CAS: 5418-63-3)?

The market for 1,2,3,3-Tetramethyl-3H-indolium iodide (CAS: 5418-63-3) is growing due to its applications in pharmaceuticals and as a precursor in organic synthesis. Research trends are focusing on its use in developing novel drugs and as a tool in medicinal chemistry. The demand is expected to increase as more applications are discovered in academic and industrial settings.

How should waste containing 1,2,3,3-Tetramethyl-3H-indolium iodide (CAS: 5418-63-3) be handled?

Waste containing 1,2,3,3-Tetramethyl-3H-indolium iodide (CAS: 5418-63-3) should be collected in a sealed, non-reactive container and stored in a well-ventilated area. For disposal, contact a licensed hazardous waste handler or incineration facility. Proper handling and disposal methods should be followed to minimize environmental impact and ensure safety. It is crucial to adhere to local and national regulations for hazardous waste management.