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4719-04-4

Basic Information
CAS No.: 4719-04-4
Name: Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine
Article Data: 14
Cas Database
Molecular Structure:
Molecular Structure of 4719-04-4 (Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine)
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: HarmfulXn
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In methanol at 20℃;
4719-04-4

1,3,5-tris(2-hydroxyethyl)-1,3,5-triazacyclohexane

C9H22N3O6P

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In methanol at 65℃; for 5h; Reflux;80%
Downstream Products
504-76-7
121-82-4
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    Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine Basic information Product Name: Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine Synonyms: 1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine;1,3,5-triazine-1,3,5(2h,4h,6h)-triethanol;HEXAHYDRO-1,3,5-

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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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