839-90-7

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839-90-7 Structure

Identification	More
[Name] 1,3,5-Tris(2-hydroxyethyl)cyanuric acid
[CAS] 839-90-7
[Synonyms] 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(1H,3H,6H)TRIONE 1,3,5-TRIS(2-HYDROXYETHYL)CYANURIC ACID 1,3,5-TRIS(2-HYDROXYETHYL)-HEXAHYDRO-S-TRIAZINE-2,4,6-TRIONE 1,3,5-TRIS(2-HYDROXYETHYL)ISOCYANURIC ACID ISOCYANURIC ACID TRIS(2-HYDROXYETHYL) ESTER THEIC TRIS(2-HYDROXYETHYL) ISOCYANURATE TRIS(HYDROXYETHYL) ISOCYANURATE 1,3,5-tris(2-hydroxyethyl)isocyanurate 1,3,5-tris(2-hydroxyethyl)triazine-2,4,6-trione 3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(2-hydroxyethyl)-1 5-triazine-2,4,6(1h,3h,5h)-trione,1,3,5-tris(2-hydroxyethyl)-3 6(1h,3h,5h)-trione,1,3,5-tris(2-hydroxyethyl)-s-triazine-4 n,n’,n’’-tris(2-hydroxyethyl)isocyanurate tris(2-hydroxyethyl)-s-triazine-2,4,6-trione tris(beta-hydroxyethyl)isocyanurate tris(2-hydroxyethyl) isoyanurate tris(2-hydroxyethyl)-1,3,5-triazinetrione TRIS (2-HYDROXYETHYL) ISOCYANURATE GRANULAR
[EINECS(EC#)] 212-660-9
[Molecular Formula] C9H21N3O6
[MDL Number] MFCD00003549
[Molecular Weight] 267.28
[MOL File] 839-90-7.mol

Chemical Properties	Back Directory
[Appearance] white powder
[Melting point ] 136-140 °C(lit.)
[Boiling point ] 526.7±45.0 °C(Predicted)
[density ] 1.498±0.06 g/cm3(Predicted)
[vapor pressure ] 0.001Pa at 50℃
[Fp ] 241℃
[storage temp. ] Store below +30°C.
[solubility ] 1150g/l
[form ] Solid
[pka] 14.03±0.10(Predicted)
[color ] White to Off-White
[PH] 7 (100g/l, H2O, 20℃)
[Stability:] Stable. Incompatible with strong oxidizing agents.
[Water Solubility ] 572g/L at 20℃
[InChI] 1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2
[InChIKey] BPXVHIRIPLPOPT-UHFFFAOYSA-N
[SMILES] OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O
[LogP] -1.63 at 23℃
[Uses] Additive to plastics, especially to impart thermal stability.
[CAS DataBase Reference] 839-90-7(CAS DataBase Reference)
[EPA Substance Registry System] 839-90-7(EPA Substance)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ] Xi
[Risk Statements ] R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] 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
[Autoignition Temperature] 430 °C
[TSCA ] Yes
[REACH Registrations] Active
[HS Code ] 29336980
[Storage Class] 11 - Combustible Solids
[Hazardous Substances Data] 839-90-7(Hazardous Substances Data)
[Toxicity] LD50 orally in Rabbit: > 10000 mg/kg

Raw materials And Preparation Products	Back Directory
[Raw materials] Methanol-->N,N-Dimethylformamide-->Ethylene oxide-->Cyanuric acid
[Preparation Products] Tris[2-(3-mercaptopropionyloxy)ethyl] isocyanurate

Hazard Information	Back Directory
[General Description] White powder.
[Reactivity Profile] An organo-isocyanate. Isocyanates and thioisocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide.
[Air & Water Reactions] Water soluble.
[Fire Hazard] Flash point data for this compound are not available, but 1,3,5-TRIS(2-HYDROXYETHYL)TRIAZINE-2,4,6-TRIONE is probably combustible.
[Chemical Properties] white powder
[Synthesis Reference(s)] The Journal of Organic Chemistry, 28, p. 85, 1963 DOI: 10.1021/jo01036a019
[Flammability and Explosibility] Notclassified

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione(839-90-7).msds

Spectrum Detail	Back Directory
[Spectrum Detail] 1,3,5-Tris(2-hydroxyethyl)cyanuric acid(839-90-7)MS 1,3,5-Tris(2-hydroxyethyl)cyanuric acid(839-90-7)¹HNMR 1,3,5-Tris(2-hydroxyethyl)cyanuric acid(839-90-7)¹³CNMR 1,3,5-Tris(2-hydroxyethyl)cyanuric acid(839-90-7)IR1 1,3,5-Tris(2-hydroxyethyl)cyanuric acid(839-90-7)IR2

Well-known Reagent Company Product Information	Back Directory
[Alfa Aesar] 1,3,5-Tris(2-hydroxyethyl)cyanuric acid, 97%(839-90-7)
[Sigma Aldrich] 839-90-7(sigmaaldrich)
[TCI AMERICA] Tris(2-hydroxyethyl) Isocyanurate,>98.0%(N)(839-90-7)

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