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CAS No.: | 86-39-5 |
---|---|
Name: | 2-Chlorothioxanthone |
Article Data: | 31 |
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 |
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; |
(2-bromo-5-chlorophenyl)(2-fluorophenyl)methanone
2-Chlorothioxanthone
Conditions | Yield |
---|---|
With sodiumsulfide nonahydrate In N,N-dimethyl-formamide at 60℃; | 95% |
Conditions | Yield |
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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% |
9-bromo-2-chloro-9-(1-hydroxy-3-dimethylaminopropyl)thioxanthene
A
2-Chlorothioxanthone
B
1-(2-Chloro-9H-thioxanthen-9-yl)-3-dimethylamino-propan-1-one; hydrobromide
C
9-amino-2-chloro-9-(1-hydroxy-3-dimethylaminopropyl)thioxanthene dihydrochloride
D
Chlorprothixen
Conditions | Yield |
---|---|
at 130℃; for 2h; | A 30 mg B 36% C 0.66 g D 0.26 g |
2-<5-Chloro-2-(2-fluorophenylthio)phenyl>-5-dimethylaminopentan-2-ol
A
2-Chlorothioxanthone
B
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% |
5-Chloro-2-(2-fluorophenylthio)acetophenone
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 |
1-[5-Chloro-2-(2-fluoro-phenylsulfanyl)-phenyl]-1-(1-methyl-piperidin-4-yl)-ethanol
A
2-Chlorothioxanthone
B
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% |
2-amino-9H-thioxanthen-9-one
2-Chlorothioxanthone
Conditions | Yield |
---|---|
ueber die Diazonium-Verbindung; |
3-(Dimethylamino)propyl chloride
A
2-Chlorothioxanthone
B
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; |
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.)
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
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 .