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84434-05-9

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Basic Information
CAS No.: 84434-05-9
Name: [(9-oxo-9H-thioxanthen-2-yl)oxy]acetic acid
Article Data: 6
Molecular Structure:
Molecular Structure of 84434-05-9 ([(9-oxo-9H-thioxanthen-2-yl)oxy]acetic acid)
Formula: C15H10O4S
Molecular Weight: 286.308
Synonyms: Aceticacid, [(9-oxo-9H-thioxanthen-2-yl)oxy]- (9CI);2-(Carboxymethoxy)thioxanthone;2-Thioxanthonyloxyacetic acid;
EINECS: 282-803-8
Density: 1.415 g/cm3
Boiling Point: 528.9 °C at 760 mmHg
Flash Point: 273.7 °C
Solubility: 18.6mg/L at 20℃
Appearance: yellow powder
PSA: 91.84000
LogP: 2.87810
Related products
Synthetic route
31696-67-0

2-hydroxy thioxanthone

105-36-2

ethyl bromoacetate

84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
Stage #1: 2-hydroxy thioxanthone With sodium hydroxide In tetrahydrofuran for 1.5h; Reflux;
Stage #2: ethyl bromoacetate In tetrahydrofuran at 40℃; for 4h; Reflux;		91.91%
147-93-3

Thiosalicylic acid

122-59-8

2-phenoxyacetic acid

84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
Stage #1: Thiosalicylic acid With sulfuric acid for 0.0833333h;
Stage #2: 2-phenoxyacetic acid at 80℃; for 2h;		80%
With sulfuric acid at 5 - 60℃; for 2h;47%
Stage #1: Thiosalicylic acid With sulfuric acid In water
Stage #2: 2-phenoxyacetic acid In water at 20 - 80℃; for 3.5h;
With sulfuric acid at 20℃; for 2h;
119-80-2

2,2'-dithiobenzoic acid

122-59-8

2-phenoxyacetic acid

84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
With sulfuric acid at 0 - 25℃; for 1h;76%

2-carboxymethoxythioxanthone ethyl ester

84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran for 3h; Reflux;28 g
147-93-3

Thiosalicylic acid

84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid / 3 h / 20 - 100 °C
2.1: sodium hydroxide / tetrahydrofuran / 2 h / Reflux
2.2: 3 h / Reflux
3.1: sodium hydroxide / tetrahydrofuran / 3 h / Reflux
View Scheme
108-95-2

phenol

84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid / 3 h / 20 - 100 °C
2.1: sodium hydroxide / tetrahydrofuran / 2 h / Reflux
2.2: 3 h / Reflux
3.1: sodium hydroxide / tetrahydrofuran / 3 h / Reflux
View Scheme
31696-67-0

2-hydroxy thioxanthone

84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydroxide / tetrahydrofuran / 2 h / Reflux
1.2: 3 h / Reflux
2.1: sodium hydroxide / tetrahydrofuran / 3 h / Reflux
View Scheme
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

C3H5O2Pol

C54H66O20S2

Conditions
ConditionsYield
at 150 - 180℃; for 18h; Polyoxyethylene;100%
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]acetyl chloride

Conditions
ConditionsYield
With thionyl chloride In tetrahydrofuran for 24h; Reflux;100%
With thionyl chloride at 20℃; Inert atmosphere;
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

C4H9O2Pol

619-84-1

p-N,N-dimethylaminobenzoic acid

C36H43NO8S

Conditions
ConditionsYield
toluene-4-sulfonic acid at 200℃; for 5h; Polytetrahydrofuran; Neat (no solvent);86%
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Specification

With the CAS registry number 84434-05-9, the IUPAC name of this chemical is 2-(9-oxothioxanthen-2-yl)oxyacetic acid. It is yellow powder which is used as ink light initiator. Additionally, this chemical should be sealed in the container and keep it in dry and cool place.

The other characteristics of ((9-Oxo-9H-thioxanthen-2-yl)oxy)acetic acid can be summarized as: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 74.96 cm3; (14)Molar Volume: 197.1 cm3; (15)Polarizability: 29.71 10-24cm3; (16)Surface Tension: 66.4 dyne/cm; (17)Enthalpy of Vaporization: 84.62 kJ/mol; (18)Vapour Pressure: 5.13E-12 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 286.029979; (21)MonoIsotopic Mass: 286.029979; (22)Topological Polar Surface Area: 88.9; (23)Heavy Atom Count: 20.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)COc2cc1C(=O)c3c(Sc1cc2)cccc3
2. InChI:InChI=1/C15H10O4S/c16-14(17)8-19-9-5-6-13-11(7-9)15(18)10-3-1-2-4-12(10)20-13/h1-7H,8H2,(H,16,17)