2-Isopropyl-9H-thioxanthen-9-one

Basic Information

View in Editor

CAS Number

5495-84-1

Molecular Formula

C16H14OS

Molecular Weight

254.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

74.0 to 78.0 deg-C

Boiling Point

398.9ºC at 760mmHg

Density

1.199g/cm3

Refractive Index

1.638

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

View in Editor

CC(C)c1ccc2c(c1)c(=O)c3ccccc3s2

InChI

InChI=1S/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3

InChIKey

KTALPKYXQZGAEG-UHFFFAOYSA-N

LogP

4.538100000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

325

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

对光线敏感

Synonyms & References

English

2-Isopropylthioxanthone
ITX
2-Isopropyl-9H-thioxanthen-9-one
Photoinitiator ITX
2-Isoproprlthioxanthone
2-ISOPROPYLTHIOXANTHONE (2-ISOMER)
2-Isopropylthioxanthone (ITX)
2-propan-2-ylthioxanthen-9-one
2-Isopropyl-thioxanthene-9-on

MDL Number

MFCD00055658

Customs Code

2934999090

FAQ

What is 2-Isopropyl-9H-thioxanthen-9-one (CAS: 5495-84-1)?

2-Isopropyl-9H-thioxanthen-9-one (CAS: 5495-84-1) is an organic compound belonging to the thioxanthone family. Its molecular formula is C16H14O2S, and it exhibits characteristic properties of xanthone derivatives, including a yellowish solid appearance and moderate solubility in organic solvents. This compound is notable for its potential applications in organic synthesis and as a precursor for functionalized molecules due to its reactive thione group and branched isopropyl substituent.

What are the main uses of 2-Isopropyl-9H-thioxanthen-9-one (CAS: 5495-84-1)?

2-Isopropyl-9H-thioxanthen-9-one (CAS: 5495-84-1) is primarily used in pharmaceutical research as a synthetic intermediate for drug development. It also finds applications in industrial chemistry for producing dyes, coatings, and UV-absorbing materials. In research settings, it serves as a model compound for studying photochemical reactivity and molecular structure. Its unique thioxanthone framework makes it valuable in creating bioactive molecules and polymers.

Is 2-Isopropyl-9H-thioxanthen-9-one (CAS: 5495-84-1) safe?

2-Isopropyl-9H-thioxanthen-9-one (CAS: 5495-84-1) is generally considered safe when handled properly, but it may pose risks under certain conditions. Limited toxicity data suggests potential for skin and eye irritation. Safety standards recommend wearing protective gloves, goggles, and ensuring adequate ventilation. It should be stored in a secure, well-ventilated area to minimize exposure and follow OSHA guidelines for chemical handling.

How should 2-Isopropyl-9H-thioxanthen-9-one (CAS: 5495-84-1) be stored?

2-Isopropyl-9H-thioxanthen-9-one (CAS: 5495-84-1) should be stored in a sealed, airtight container in a cool, dry place (ideally 2-8°C) to maintain stability. It is sensitive to moisture and light, so storage away from these elements is crucial. Keep in a well-ventilated area and avoid prolonged exposure to heat or humidity to prevent degradation of its chemical properties.