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| CAS No.: | 5495-84-1 |
|---|---|
| Name: | 2-Isopropylthioxanthone |
| Article Data: | 14 |
| Molecular Structure: | |
|
|
|
| Formula: | C16H14OS |
| Molecular Weight: | 254.353 |
| Synonyms: | Thioxanthen-9-one,2-isopropyl- (7CI,8CI);2-ITX;2-Isopropyl-9H-thioxanthen-2-one;2-Isopropylthioxanthen-9-one;ITX;Photocure ITX-P;Quantacure 597;Quantacure 659;Quantacure ITX;Speedcure ITX; |
| EINECS: | 226-827-9 |
| Density: | 1.199 g/cm3 |
| Melting Point: | 76 °C |
| Boiling Point: | 398.9 °C at 760 mmHg |
| Flash Point: | 217 °C |
| Solubility: | 340μg/L at 20℃ |
| Appearance: | Slightly yellow crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 22 |
| PSA: | 45.31000 |
| LogP: | 4.53810 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With sulfuric acid at 20℃; for 0.5h; | 99% |
| With methanesulfonic acid; zinc In chlorobenzene at 115℃; | 89.5% |
- 5495-84-1
2-isopropyl-9H-thioxanthen-9-one
| Conditions | Yield |
|---|---|
| With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 20℃; for 12h; Irradiation; | 98% |
| With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 20℃; for 12h; Sealed tube; Irradiation; | 98% |
| With potassium hexafluorophosphate; iron(III) nitrate monohydrate; oxygen In acetonitrile at 80℃; for 2h; Reagent/catalyst; Temperature; Concentration; | 96% |
| In 1,2-dichloro-ethane at 20℃; for 2h; UV-irradiation; | 75% |
| With air In 1,2-dichloro-ethane at 20℃; for 2h; UV-irradiation; | 75% |
| Conditions | Yield |
|---|---|
| With sulfuric acid In cyclohexane Solvent; Temperature; Reflux; | 91% |
- 98-82-8
Isopropylbenzene
- 3950-02-5
2-chlorosulfenylbenzoyl chloride
B
- 5495-84-1
2-isopropyl-9H-thioxanthen-9-one
| Conditions | Yield |
|---|---|
| iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 0.5h; Product distribution / selectivity; Friedel Crafts Acylation; | A 9.8% B 88.2% |
| aluminum (III) chloride In 1,2-dichloro-ethane at -10 - 25℃; for 1 - 1.25h; Product distribution / selectivity; Friedel Crafts Acylation; | A 11.2% B 76% |
- 98-82-8
Isopropylbenzene
- 119-80-2
2,2'-dithiobenzoic acid
- 98-07-7
Benzotrichlorid
B
- 5495-84-1
2-isopropyl-9H-thioxanthen-9-one
| Conditions | Yield |
|---|---|
| Stage #1: 2,2'-dithiobenzoic acid; Benzotrichlorid With iron(III) chloride In chlorobenzene at 100℃; for 1h; Inert atmosphere; Stage #2: Isopropylbenzene With aluminum (III) chloride In trans-1,2-dichloroethylene at 20℃; for 1h; Inert atmosphere; Overall yield = 32.8 g; |
- 5495-84-1
2-isopropyl-9H-thioxanthen-9-one
| Conditions | Yield |
|---|---|
| With copper; sodium carbonate; sulfur In 1,2-dichloro-ethane Solvent; Reagent/catalyst; Reflux; | 20.8 g |
- 5495-84-1
2-isopropyl-9H-thioxanthen-9-one
| Conditions | Yield |
|---|---|
| With copper; sulfur; sodium hydroxide In 1,2-dichloro-ethane Solvent; Reagent/catalyst; Reflux; | 20 g |
- 5495-84-1
2-isopropyl-9H-thioxanthen-9-one
- 210295-96-8
2-isopropyl-9H-thioxanthen-9-one 10,10-dioxide
| Conditions | Yield |
|---|---|
| With Oxone In methanol; water Heating / reflux; | 82% |
- 5495-84-1
2-isopropyl-9H-thioxanthen-9-one
- 482662-60-2
2-isopropylthioxanthone sulphoxide
| Conditions | Yield |
|---|---|
| With cerium(IV)diammonium nitrate In water; acetonitrile at 20℃; for 2.5h; | 52.3% |
| With ammonium cerium(IV) nitrate In water; acetonitrile at 20℃; for 2.5h; | 52.3% |
| With dihydrogen peroxide; trifluoroacetic acid In water at 0 - 23℃; for 12.25h; |
- 5495-84-1
2-isopropyl-9H-thioxanthen-9-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: sodium tetrahydroborate; methanol 2.1: perchloric acid / toluene; water 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -84 °C / Sealed tube; Inert atmosphere 3.2: 1 h / 20 °C View Scheme |
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Chemistry
Following is the structure of 2-Isopropylthioxanthone (CAS NO.5495-84-1):
IUPAC Name: 2-Propan-2-ylthioxanthen-9-one
Molecular Formula: C16H14OS
Molecular Weight: 254.346760 g/mol
Appearance: Slightly yellow crystalline powder
EINECS: 226-827-9
Melting Point: 76 °C
Flash Point: 217 °C
Density: 1.199g/cm3
Index of Refraction: 1.638
Molar Refractivity: 76.27 cm3
Molar Volume: 212.1 cm3
Surface Tension: 48 dyne/cm
Enthalpy of Vaporization: 64.95 kJ/mol
Boiling Point: 398.9 °C at 760 mmHg
Vapour Pressure of 2-Isopropylthioxanthone (CAS NO.5495-84-1): 1.43E-06 mmHg at 25°C
Product Categories of 2-Isopropylthioxanthone (CAS NO.5495-84-1): Functional Materials; Photopolymerization Initiators
Canonical SMILES: CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
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
Uses
2-Isopropylthioxanthone (CAS NO.5495-84-1) is a Type II photoinitiator, used in combination with tertiary amines, and it is normally used in Screen Inks, Lithographic Inks, Overprint Varnish, Flexo Inks, Electronics, Wood Coatings. It also finds a major use as a sensitizer to enhance the curing efficiency of UV 907 in dark colors or in thick coatings.
Safety Profile
Safety Information of 2-Isopropylthioxanthone (CAS NO.5495-84-1):
Hazard Codes: Xn 
Risk Statements: 22
22: Harmful if swallowed
Specification
2-Isopropylthioxanthone , its cas register number is 5495-84-1. It also can be called 2-Isopropyl-9H-thioxanthen-9-one .