2-Iodo-1,3,5-trimethylbenzene

Basic Information

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CAS Number

4028-63-1

Molecular Formula

C9H11I

Molecular Weight

246.09 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

30.0 to 33.0 deg-C

Boiling Point

250°C

Flash Point

107.1 °C

Refractive Index

1.5905 (estimate)

SMILES

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CC1=CC(=C(C(=C1)C)I)C

InChI

InChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

InChIKey

GTPNXFKONRIHRW-UHFFFAOYSA-N

LogP

3.2164600000000014

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

99.3

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class LIGHT SENSITIVE Class LIGHT SENSITIVE

Sensitiveness

Light Sensitive

Synonyms & References

English

Benzene, 2-iodo-1,3,5-trimethyl-
PUU75HP3GE
NS00030758
mesityliodide
CCG-54594
EN300-189628
2-iodo-1
AS-19323
SCHEMBL760815
SY029295
HMS549J14
NSC 68044
MFCD00013707
SR-01000643683-1
2-Iodomesitylene
Jodmesitylen
Maybridge1_002852
NSC-68044
DivK1c_001604
2-Iodo-1,3,5-trimethylbenzene #
CDS1_000564
CS-W007852
2-iodo-1,3,5-trimethyl-benzene;2-Iodomesitylene
CD 07694
2-iodo-1,3,5-trimethyl-benzene
2,4,6-Trimethyliodobenzene
AC1617
AKOS015853821
2,4,6-TRIMETHYLIODOBENZENE (2-IODOMESITYLENE)
1,3,5-Trimethyl-2-iodobenzene
GTPNXFKONRIHRW-UHFFFAOYSA-

MDL Number

MFCD00013707

Customs Code

2903999090

FAQ

What regulatory guidelines apply to 2-Iodo-1,3,5-trimethylbenzene (CAS: 4028-63-1)?

2-Iodo-1,3,5-trimethylbenzene (CAS: 4028-63-1) is subject to several regulatory guidelines, including the REACH regulations in the European Union for the registration, evaluation, authorization, and restriction of chemicals. It may also be regulated under the U.S. EPA's Toxic Substances Control Act (TSCA) and the FDA for certain uses. Additionally, it requires proper handling, storage, and disposal in accordance with the Globally Harmonized System (GHS) of Classification and Labelling of Chemicals.

Are there alternatives to 2-Iodo-1,3,5-trimethylbenzene (CAS: 4028-63-1) in synthesis?

While 2-Iodo-1,3,5-trimethylbenzene is a specific compound, alternatives can include other iodo-benzene derivatives or similar trisubstituted benzene compounds. Researchers may explore using 2-iodo-1,3,5-trimethylbenzene as a precursor to other iodinated benzenes or use isomers such as 1-iodo-2,3,5-trimethylbenzene. Alternative reagents might include other halogenated compounds or functional groups that can be introduced using different synthetic methods.

What is the market or research trend for 2-Iodo-1,3,5-trimethylbenzene (CAS: 4028-63-1)?

Market trends for 2-Iodo-1,3,5-trimethylbenzene (CAS: 4028-63-1) are driven by its use in the synthesis of pharmaceuticals and as an intermediate in organic chemistry. Research is focusing on its application in medicinal chemistry, particularly in drug discovery and development. Additionally, there is growing interest in the environmental impact and sustainability of using such compounds, leading to more studies on their biodegradability and alternative greener synthesis methods.

How should waste containing 2-Iodo-1,3,5-trimethylbenzene (CAS: 4028-63-1) be handled?

Waste containing 2-Iodo-1,3,5-trimethylbenzene (CAS: 4028-63-1) should be collected and disposed of in accordance with local and international regulations. Proper waste handling includes neutralization to reduce toxicity, followed by incineration or professional waste disposal services. Ensuring the waste is treated to minimize environmental impact is crucial, and storage should be in secure, labeled containers away from incompatible materials. Compliance with GHS guidelines and REACH regulations is essential to prevent environmental contamination and ensure worker safety.