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| CAS No.: | 839-90-7 |
|---|---|
| Name: | 1,3,5-Tris(2-hydroxyethyl)cyanuric acid |
| Molecular Structure: | |
|
|
|
| Formula: | C9H15N3O6 |
| Molecular Weight: | 261.235 |
| 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; |
| EINECS: | 212-660-9 |
| Density: | 1.498 g/cm3 |
| Melting Point: | 136-140 °C |
| Boiling Point: | 526.7 °C at 760 mmHg |
| Flash Point: | 272.3 °C |
| Solubility: | 572g/L at 20℃ |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 126.69000 |
| LogP: | -3.85140 |
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With thionyl chloride In 1,4-dioxane | 100% |
- 4095-10-7
dimethyldibromosilane
- 839-90-7
1,3,5-tris(2-hydroxyethyl)-S-triazine-2,4,6-trione
- 106-89-8
epichlorohydrin
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| With sodium carbonate at 78 - 200℃; Temperature; | 98.07% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With triphenylphosphine; diethylazodicarboxylate In 1,4-dioxane | 95% |
- 84000-11-3Fmoc-N-methyl-L-valine
- 84012-13-5Arctium lappa, ext.
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- 141-53-7Sodium formate
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- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Chemistry
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
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.
Safety Profile
Hazard Codes: 
Xi
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
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)- .