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Name	2-Chlorothioxanthone	EINECS	201-667-2
CAS No.	86-39-5	Density	1.417 g/cm³
PSA	45.31000	LogP	4.06810
Solubility	Partly miscible in water.	Melting Point	152.5-153.5 °C(lit.)
Formula	C₁₃H₇ClOS	Boiling Point	409.4 °C at 760 mmHg
Molecular Weight	246.717	Flash Point	201.4 °C
Transport Information	UN 1325 4.1/PG 3	Appearance	yellow powder
Safety	16-33	Risk Codes	11
Molecular Structure		Hazard Symbols
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;	Article Data	31

2-Chlorothioxanthone Synthetic route

: 92-38-6
2-chloro-9H-thioxanthene

: 86-39-5
2-Chlorothioxanthone

Conditions

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

Conditions	Yield
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

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

: 4695-61-8
Chlorprothixen

: 86-39-5
2-Chlorothioxanthone

Conditions

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

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

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

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

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

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

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;

2-Chlorothioxanthone Chemical Properties

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.)

2-Chlorothioxanthone 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

2-Chlorothioxanthone 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 .

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