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| CAS No.: | 86-39-5 |
|---|---|
| Name: | 2-Chlorothioxanthone |
| Molecular Structure: | |
|
|
|
| Formula: | C13H7ClOS |
| Molecular Weight: | 246.717 |
| Synonyms: | Kayacure CTX;9H-Thioxanthen-9-one, 2-chloro-;2-Chlorothioxanthen-9-one;Nisso Cure CTX;9H-Thioxanthen-9-one,2-chloro-;Sandoray 1050;Quantacure CTX; |
| EINECS: | 201-667-2 |
| Density: | 1.417 g/cm3 |
| Melting Point: | 152.5-153.5 °C(lit.) |
| Boiling Point: | 409.4 °C at 760 mmHg |
| Flash Point: | 201.4 °C |
| Solubility: | Partly miscible in water. |
| Appearance: | yellow powder |
| Hazard Symbols: |
|
| Risk Codes: | 11 |
| Safety: | 16-33 |
| Transport Information: | UN 1325 4.1/PG 3 |
| PSA: | 45.31000 |
| LogP: | 4.06810 |
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- 99170-93-1N-Methyl-2-oxazolamine
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
| 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 potassium hexafluorophosphate; iron(III) nitrate monohydrate; oxygen In acetonitrile at 80℃; for 12h; Reagent/catalyst; Temperature; Concentration; | 96% |
| In 1,2-dichloro-ethane at 20℃; for 4h; UV-irradiation; | 70% |
| With air In 1,2-dichloro-ethane at 20℃; for 4h; UV-irradiation; | 70% |
| 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; |
- 1449571-63-4
(2-bromo-5-chlorophenyl)(2-fluorophenyl)methanone
- 86-39-5
2-Chlorothioxanthone
| Conditions | Yield |
|---|---|
| With sodiumsulfide nonahydrate In N,N-dimethyl-formamide at 60℃; | 95% |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 60℃; for 3h; Temperature; | 89.3% |
| With sulfuric acid Reflux; | 68% |
| With sulfuric acid | |
| With sulfuric acid | |
| With sulfuric acid at 100℃; for 12h; Inert atmosphere; | 8.1mg |
| Conditions | Yield |
|---|---|
| With 1-hydroxy-pyrrolidine-2,5-dione; graphitic carbon nitride; oxygen In acetonitrile at 20℃; Inert atmosphere; Irradiation; | 62% |
- 77625-54-8
9-bromo-2-chloro-9-(1-hydroxy-3-dimethylaminopropyl)thioxanthene
A
- 86-39-5
2-Chlorothioxanthone
B
- 77602-78-9
1-(2-Chloro-9H-thioxanthen-9-yl)-3-dimethylamino-propan-1-one; hydrobromide
C
- 77602-80-3
9-amino-2-chloro-9-(1-hydroxy-3-dimethylaminopropyl)thioxanthene dihydrochloride
D
- 4695-61-8
Chlorprothixen
| Conditions | Yield |
|---|---|
| at 130℃; for 2h; | A 30 mg B 36% C 0.66 g D 0.26 g |
- 83986-08-7
2-<5-Chloro-2-(2-fluorophenylthio)phenyl>-5-dimethylaminopentan-2-ol
A
- 86-39-5
2-Chlorothioxanthone
B
- 83986-07-6
8-Chloro-6-methyl-6-(3-dimethylaminopropyl)-6H-dibenz-1,4-oxathiepin
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide at 70℃; for 8h; | A 0.17 g B 35% |
- 73129-22-3
5-Chloro-2-(2-fluorophenylthio)acetophenone
- 86-39-5
2-Chlorothioxanthone
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide at 70℃; for 8h; | 12% |
| Multi-step reaction with 2 steps 1: 1) Mg / 1) THF, reflux, 3 h; 2) THF, reflux, 3 h 2: 1.88 g / NaH / dimethylformamide / 8 h / 70 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 1) Mg / 1) THF, reflux, 2 h; 2) THF, reflux, 4 h 2: 0.17 g / NaH / dimethylformamide / 8 h / 70 °C View Scheme |
- 83986-13-4
1-[5-Chloro-2-(2-fluoro-phenylsulfanyl)-phenyl]-1-(1-methyl-piperidin-4-yl)-ethanol
A
- 86-39-5
2-Chlorothioxanthone
B
- 83986-12-3
8-Chloro-6-methyl-6-(1-methyl-4-piperidyl)-6H-dibenz-1,4-oxathiepin
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide at 70℃; for 8h; | A 1.88 g B 8% |
- 33923-98-7
2-amino-9H-thioxanthen-9-one
- 86-39-5
2-Chlorothioxanthone
| Conditions | Yield |
|---|---|
| ueber die Diazonium-Verbindung; |
- 109-54-6
3-(Dimethylamino)propyl chloride
A
- 86-39-5
2-Chlorothioxanthone
B
- 28178-78-1
Dihydrochlorprothixene
| Conditions | Yield |
|---|---|
| With hydrogenchloride; methanol; alkaline aqueous potassium borate solution Vor der Umsetzung mit <3-Chlor-propyl>-dimethyl-amin unter Stickstoff wurde das Reaktionsprodukt mit Butyllithium in Aether behandelt; |
- 863971-24-8McMMAE
- 86401-80-116alpha-Hydroxyprednisonlone acetate
- 86403-32-9Fatty acids, C15-18, tetramethylpiperidinyl esters
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Chemistry
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IUPAC Name: 2-Chlorothioxanthen-9-one
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl
InChI: InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
InChIKey: ZCDADJXRUCOCJE-UHFFFAOYSA-N
Molecular Weight: 246.71208 [g/mol]
Molecular Formula: C13H7ClOS
XLogP3: 4.6
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 201-667-2
Product Categories: pharmacetical; Thioderivates; Functional Materials; Photopolymerization Initiators; Organic Photoinitiators; Polymerization Initiators; Thioxanthones
Index of Refraction: 1.696
Molar Refractivity: 66.98 cm3
Molar Volume: 173.9 cm3
Surface Tension: 57.5 dyne/cm
Density: 1.417 g/cm3
Flash Point: 201.4 °C
Enthalpy of Vaporization: 66.16 kJ/mol
Boiling Point: 409.4 °C at 760 mmHg
Vapour Pressure: 6.5E-07 mmHg at 25 °C
Melting Point of 2-Chlorothioxanthen-9-one (CAS NO.86-39-5): 152.5-153.5 °C(lit.)
Safety Profile
Hazard Codes: 
F
Risk Statements: 11
R11:Highly flammable.
Safety Statements: 16-33
S16:Keep away from sources of ignition.
S33:Take precautionary measures against static discharges.
RIDADR: UN 1325 4.1/PG 3
WGK Germany: 3
Specification
2-Chlorothioxanthen-9-one (CAS NO.86-39-5), its Synonyms are 9H-Thioxanthen-9-one, 2-chloro- ; 2-Chlorothioxanthone ; Nisso Cure CTX ; Sandoray 1050 ; Kayacure CTX .