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1,3,5-Tris(2-hydroxyethyl)cyanuric acid
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Name

1,3,5-Tris(2-hydroxyethyl)cyanuric acid

 EINECS 212-660-9
CAS No. 839-90-7 Density 1.498 g/cm3
PSA 126.69000 LogP -3.85140
Solubility 572g/L at 20℃ Melting Point 136-140 °C
Formula C9H15N3O6 Boiling Point 526.7 °C at 760 mmHg
Molecular Weight 261.235 Flash Point 272.3 °C
Transport Information N/A Appearance white powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 839-90-7 (1,3,5-Tris(2-hydroxyethyl)cyanuric acid) Hazard Symbols IrritantXi
Synonyms

N,N',N''-Tris(2-hydroxyethyl) isocyanurate;NF-SE;NSC 11680;THEIC;THEIC-G;Tanac;Theic P;Theic PW;Tris(2-hydroxyethyl) isocyanurate;Tris(hydroxyethyl) isocyanurate;Tris(b-hydroxyethyl) isocyanurate;s-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(2-hydroxyethyl)- (8CI);1,3,5-Tris(2-hydroxyethyl) isocyanurate;1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione;1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6-trione;Isocyanuric acid tris(2-hydroxyethyl)ester;

Article Data 16

1,3,5-Tris(2-hydroxyethyl)cyanuric acid Synthetic route

108-80-5

cyanuric acid

107-07-3

2-chloro-ethanol

839-90-7

1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

Conditions
ConditionsYield
With sodium hydride 1.) HMPA, 100 deg C, 3 h, 2.) HMPA, 100 deg C, 7 h; Yield given. Multistep reaction;
108-80-5

isocyanuric acid

107-07-3

2-chloro-ethanol

839-90-7

1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 80 - 85℃; Reagent/catalyst; Temperature; Solvent;271.6 g
839-90-7

1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

6299-37-2

1,3,5-tri(2-chloroethyl)-1,3,5-triazine-2,4,6-trione

Conditions
ConditionsYield
With thionyl chloride In 1,4-dioxane100%
4095-10-7

dimethyldibromosilane

839-90-7

1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

106-89-8

epichlorohydrin

C27H51Cl6N3O9Si3

Conditions
ConditionsYield
Stage #1: dimethyldibromosilane; 1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione With hydrogen bromide In 1,4-dioxane at 70℃; for 5h; Inert atmosphere;
Stage #2: epichlorohydrin In 1,4-dioxane at 60 - 100℃; for 6h; Reagent/catalyst; Solvent; Temperature;		98.7%
4095-10-7

dimethyldibromosilane

839-90-7

1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

C15H30Br3N3O6Si3

Conditions
ConditionsYield
In 1,4-dioxane at 50℃; for 5h;98.4%
In 1,4-dioxane at 50℃; for 9h; Solvent; Temperature; Inert atmosphere;
In acetonitrile at 40℃; for 7h; Solvent; Temperature;
In diethylene glycol dimethyl ether at 70℃; for 4h; Temperature; Solvent;
In 1,2-dimethoxyethane at 70℃; for 4h; Temperature; Solvent; Inert atmosphere;
78-40-0

triethyl phosphate

839-90-7

1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

C15H27N3O11P2

Conditions
ConditionsYield
With sodium carbonate at 78 - 200℃; Temperature;98.07%

C14H20N2O3

839-90-7

1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

C42H63N3O15

Conditions
ConditionsYield
With cesium fluoride at 50℃;98%
98-59-9

p-toluenesulfonyl chloride

839-90-7

1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

951016-94-7

1,3,5-tris(2-tosylethyl)-1,3,5-triazine-2,4,6-trione

Conditions
ConditionsYield
With pyridine at -30 - 0℃; for 17h;97%
17302-46-4

methyl 2-hydroxy-5-nitrobenzoate

839-90-7

1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

130839-94-0

C33H30N6O18

Conditions
ConditionsYield
With triphenylphosphine; diethylazodicarboxylate In 1,4-dioxane95%
112-88-9

octadec-1-ene

105-74-8

dilauryl peroxide

104-15-4

toluene-4-sulfonic acid

839-90-7

1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione

107-96-0

3-mercaptopropionic acid

tris(2-hydroxyethyl)isocyanurate tris(3-stearylthiopropionate)

Conditions
ConditionsYield
In water; toluene94.6%
...Expand

1,3,5-Tris(2-hydroxyethyl)cyanuric acid Chemical Properties

IUPAC Name: 1,3,5-tris(2-Hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CAS NO: 839-90-7
Molecular Formula: C9H15N3O6
Molecular Weight: 261.23
Molecular Structure:
EINECS : 212-660-9
H bond acceptors: 9
H bond donors: 3
Freely Rotating Bonds: 9
Polar Surface Area: 88.62 Å2
Index of Refraction: 1.573
Molar Refractivity: 57.51 cm3
Molar Volume: 174.3 cm3
Surface Tension: 71.1 dyne/cm
Density: 1.498 g/cm3
Flash Point: 272.3 °C
Enthalpy of Vaporization: 92.16 kJ/mol
Boiling Point: 526.7 °C at 760 mmHg
Vapour Pressure: 2.72E-13 mmHg at 25 °C
Melting point: 136-140 °C
Appearance: white powder
Water solubility: Water soluble.
Stability: Stable. Incompatible with strong oxidizing agents.
Product Categories of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(2-hydroxyethyl)- (CAS NO.839-90-7): Intermediates;Organics

1,3,5-Tris(2-hydroxyethyl)cyanuric acid Uses

  1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(2-hydroxyethyl)- (CAS NO.839-90-7) is used as an organo-isocyanate.

1,3,5-Tris(2-hydroxyethyl)cyanuric acid Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3

1,3,5-Tris(2-hydroxyethyl)cyanuric acid Specification

Synonyms of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(2-hydroxyethyl)- (CAS NO.839-90-7) are 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(2-hydroxyethyl)- ; 1,3,5-Tris(2-hydroxyethyl)isocyanurate ; 1,3,5-Tris(2-hydroxyethyl)isocyanuric acid  ;1,3,5-Tris(2-hydroxyethyl)triazine-2,4,6-trione ; Isocyanuric acid tris(2-hydroxyethyl) ester  ; N,N',N''-Tris(2-hydroxyethyl) isocyanurate ; Tris(2-hydroxyethyl) isocyanurate ; s-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(2-hydroxyethyl)- .

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