CAS No.4719-04-4,Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4719-04-4
Name:	Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine
Article Data:	14
Cas Database

Formula:	C₉H₂₁N₃O₃
Molecular Weight:	219.284
Synonyms:	s-Triazine-1,3,5(2H,4H,6H)-triethanol(8CI);1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazacyclohexane;1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine;1,3,5-Tris(2-hydroxyethyl)hexahydro-s-triazine;Actane;Acticide GR;Bactraclean;Busan 1060;Busan 1506;Cobate C;Grotan BK;Kalpur TE;N,N',N''-Tris(2-hydroxyethyl)hexahydro-s-triazine;N,N',N''-Tris(b-hydroxyethyl)hexahydro-s-triazine;NSC 516387;NipacideBK;Protectol HT;Surcide D;Triadine 3;
EINECS:	225-208-0
Density:	1.186 g/cm³
Melting Point:	N/A
Boiling Point:	399.9 °C at 760 mmHg
Flash Point:	220.1 °C
Solubility:	Soluble (>=1 g/100 mL at 24 °C) in water
Appearance:	Viscous yellow liquid
Hazard Symbols:	Xn
Risk Codes:	22-43
Safety:	24-37
Transport Information:	UN 2810
PSA:	70.41000
LogP:	-2.43090

Synthetic route

: 50-00-0
formaldehyd

: 141-43-5
ethanolamine

: 4719-04-4
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

Conditions

Conditions	Yield
In methanol at 20℃; for 16h;	100%
In methanol for 48h;	86%
With water
In ethanol Cyclization;
at 50 - 80℃; for 1h;	92 g

: 88891-55-8
5-(2-hydroxyethyl)hexahydro-1,3,5-dithiazine

: 4719-04-4
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

Conditions

Conditions	Yield
at 100℃; under 0.12 Torr;	85%

: 504-76-7
1,3-oxazolidine

: 4719-04-4
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

Conditions

Conditions	Yield
at 25 - 30℃; unter Selbsterwaermung;

: 110-88-3
1,3,5-Trioxan

: 141-43-5
ethanolamine

: 4719-04-4
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

Conditions

Conditions	Yield
In methanol at 20℃;

: 4719-04-4
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

: C9H22N3O6P

Conditions

Conditions	Yield
With phosphorus pentoxide at 0 - 80℃; for 1h;	96%

: 4719-04-4
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

: 574-15-2
(E)-benzil monooxime

: 1-(2-hydroxyethyl)-4,5-diphenyl-1H-imidazole 3-oxide

Conditions

Conditions	Yield
In ethanol for 3h; Heating;	89%

: 4719-04-4
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

: 57-71-6, 17019-25-9, 110828-81-4
2,3-Butanedione monoxime

: 4,5-dimethyl-1H-imidazole-1-ethanol 3-oxide

Conditions

Conditions	Yield
In ethanol for 3h; Heating;	88%

: 29024-92-8
1-hydroximino-1-phenylacetone

: 4719-04-4
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

: 5-methyl-4-phenyl-1H-imidazole-1-ethanol 3-oxide

Conditions

Conditions	Yield
In ethanol for 3h; Heating;	81%

: 4719-04-4
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

: 908382-43-4
1-(4-fluorophenyl)-2-(2-fluoro-4-pyridyl)ethane-1,2-dione 1-oxime

: 1009308-69-3
2-[4-(4-Fluorophenyl)-5-(2-fluoro-pyridin-4-yl)-3-oxy-imidazol-1-yl]-ethanol

Conditions

Conditions	Yield
In ethanol for 16h; Heating / reflux;	80%

: 4719-04-4
1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

: 141-97-9
ethyl acetoacetate

: diethyl 3-acetyl-1-(2-hydroxyethyl)-6-methyl-1,2,3,4-tetrahydropyridine-3,5-dicarboxylate

Conditions

Conditions	Yield
In methanol at 65℃; for 5h; Reflux;	80%

Raw Materials

141-43-5

50-00-0

504-76-7

Downstream Products

121-82-4

504-76-7

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Consensus Reports

It is reported in EPA TSCA Inventory.

Specification

The Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine, with the CAS registry number 4719-04-4, is also known as 1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine;1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol.It belongs to the product categories of Pharmaceutical Raw Materials;Heterocycles;Intermediates. Its EINECS number is 225-208-0.This chemical's molecular formula is C₉H₂₁N₃O₃ and molecular weight is 219.28. What's more,Its systematic name is Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine. It is viscous yellow liquid , water soluble and probably combustible.The hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine is harmful if swallowed .It may cause sensitization by skin contact ,we should avoid contact with skin .When you use it ,you should wear suitable gloves.

Physical properties about Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine are: (1)ACD/LogP: -1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -1.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.50; (8)ACD/KOC (pH 7.4): 4.80; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 57.119 cm³; (14)Molar Volume: 184.876 cm³; (15)Surface Tension: 49.7280006408691 dyne/cm; (16)Density: 1.186 g/cm³; (17)Flash Point: 220.109 °C; (18)Enthalpy of Vaporization: 75.212 kJ/mol; (19)Boiling Point: 399.888 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine is an amine and an alcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

You can still convert the following datas into molecular structure:
(1)SMILES:OCCN1CN(CN(C1)CCO)CCO;
(2)Std. InChI:InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2;
(3)Std. InChIKey:HUHGPYXAVBJSJV-UHFFFAOYSA-N.

The toxicity data of Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	763mg/kg (763mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 204, 1992.
rat	LD50	skin	> 2gm/kg (2000mg/kg)		Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 204, 1992

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