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86-39-5

Basic Information
CAS No.: 86-39-5
Name: 2-Chlorothioxanthone
Article Data: 31
Molecular Structure:
Molecular Structure of 86-39-5 (2-Chlorothioxanthone)
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
Synthetic route
92-38-6

2-chloro-9H-thioxanthene

86-39-5

2-Chlorothioxanthone

Conditions
ConditionsYield
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
ConditionsYield
With sodiumsulfide nonahydrate In N,N-dimethyl-formamide at 60℃;95%
6469-85-8

2-carboxyphenyl 4-chlorophenyl sulphide

86-39-5

2-Chlorothioxanthone

Conditions
ConditionsYield
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
4695-61-8

Chlorprothixen

86-39-5

2-Chlorothioxanthone

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
ueber die Diazonium-Verbindung;
109-54-6

3-(Dimethylamino)propyl chloride

A

86-39-5

2-Chlorothioxanthone

B

28178-78-1

Dihydrochlorprothixene

Conditions
ConditionsYield
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;
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    Product name: 2-Chlorothioxanthone CAS No.: 86-39-5 Molecular formula C13H7ClOS Appearance: light yellow crystalline powder Melting point: ≥151℃

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    2-Chlorothioxanthone Basic information Product Name: 2-Chlorothioxanthone Synonyms: 2-chloro-9h-thioxanthen-9-on;2-chloro-9H-Thioxanthen-9-one;2-Chlorothoxanthone;2-CHLOROTHIAXANTHONE;2-CHLOROTHIOXANTHEN-9-ONE;2-CHLOROTHIOXANTHENE-9-ONE;2-CHLO

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Chemistry


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: FlammableF
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 .