1,3,5-Triazine supplier | CasNO.290-87-9

Name
1,3,5-Triazine
EINECS 206-028-1
CAS No. 290-87-9
Article Data39
CAS DataBase
Density 1.173 g/cm³
Solubility methanol: 0.1 g/mL, clear
Melting Point 77-83 °C (dec.)(lit.)
Formula C₃H₃N₃
Boiling Point 114 °C at 760 mmHg
Molecular Weight 81.0769
Flash Point 31.122 °C
Transport Information UN 2928
Appearance White crystalline solid
Safety 22-24/25-39-26-45-36/37/39-27
Risk Codes 22-37/38-41-34
Molecular Structure
Hazard Symbols Xn; C
Synonyms s-Triazine(6CI,8CI);Cyanidine;NSC 56189;Vedita 250;sym-Triazine;s-triazine;
PSA 38.67000
LogP -0.12840

Synthetic route

: 102-82-9
tributyl-amine

: 6313-33-3
formamidine hydrochloride

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
at 125℃; under 80 Torr;

: 74-90-8
hydrogen cyanide

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
With tetrahydrofuran; hydrogenchloride
With hydrogenchloride byproducts: HCl;

: 4483-79-8
chloromethylene-formamidine

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
With quinoline
With sodium trans-cinnamate

: 4774-33-8
tris(formylamino)methane

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
beim Erhitzen auf Temperaturen oberhalb des Schmelzpunkts;

: 60099-09-4
methanimidic acid phenylmethyl ester hydrochloride

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
With N,N-diethylaniline under 12 Torr;

: 6313-33-3
formamidine hydrochloride

: 290-87-9
1,3,5-Triazine

: 4774-33-8
tris(formylamino)methane

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
at 160℃;
at 160℃;

: 85737-65-1
formimidic acid benzyl ester

: 121-44-8
triethylamine

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
Erhitzen des Reaktionsprodukts;

: 85737-65-1
formimidic acid benzyl ester

: 91-66-7
N,N-diethylaniline

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
under 12 Torr;

: 60099-09-4
methanimidic acid phenylmethyl ester hydrochloride

: 60-23-1
Cysteamine

A: 504-79-0
4,5-dihydro-thiazole

B: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile
With N-ethyl-N,N-diisopropylamine In acetonitrile
With N-ethyl-N,N-diisopropylamine In acetonitrile Mechanism;

...Expand

N-dichloromethyl-formamidine hydrochloride: N-dichloromethyl-formamidine hydrochloride

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
With quinoline

: 6313-33-3
formamidine hydrochloride

sodium diacetamide: sodium diacetamide

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
With diethyl ether

: 6313-33-3
formamidine hydrochloride

sodium diformamide: sodium diformamide

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
With diethyl ether

: 109-99-9
tetrahydrofuran

: 110-86-1
pyridine

: 7647-01-0
hydrogenchloride

: 74-90-8
hydrogen cyanide

: 290-87-9
1,3,5-Triazine

...Expand

: 109-99-9
tetrahydrofuran

: 91-22-5
quinoline

: 7647-01-0
hydrogenchloride

: 74-90-8
hydrogen cyanide

: 290-87-9
1,3,5-Triazine

...Expand

: C3H3N3(1-)

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
With Paraquat In water pH=6; Kinetics;

: 74-90-8
hydrogen cyanide

A: 290-87-9
1,3,5-Triazine

B: hydrogen cyanide trimer

C: hydrogen cyanide dimer

: 74-90-8
hydrogen cyanide

: 74-90-8
hydrogen cyanide

Conditions

Conditions	Yield
In gaseous matrix Supersonic expansion of a mixt. of HCN in helium (product ratio depends on concn.) in a molecular beam app..; Not isolated, detected by a bolometer.;

...Expand

: HCN*HCN*HCl=(HCN)2HCl

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
With quinoline byproducts: HCl; heating;

: 112793-15-4
trans-(PtCl2(P(C2H5)3))(1,3,5-triazine)

A: 290-87-9
1,3,5-Triazine

: 112793-16-5
trans-(PtCl2(P(C2H5)3))2(1,3,5-triazine)

Conditions

Conditions	Yield
soln. equilibrium; at room temp. nearly complete formation of educt;

: 24838-21-9
2-fluorosulfonylperfluorpropionnitrile

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
With HCl In methanol at 100°C, 2 h in autoclave;

: 50-00-0
formaldehyd

: 74-89-5
methylamine

: 290-87-9
1,3,5-Triazine

Conditions

Conditions	Yield
In water for 2h;

: reactive red 198

A: 290-87-9
1,3,5-Triazine

B: 4122-04-7
2-amino-1,3,5-triazine

C: 16007-72-0
6-chloro-N-phenyl-1,3,5-triazine-2,4-diamine

D: 599-70-2
ethyl phenyl sulfone

E: 2-(phenylsulfonyl)ethanesulfonate

Conditions

Conditions	Yield
With bacterial-yeast consortium for 40h; pH=7; Microbiological reaction;

...Expand

: 22113-87-7
Monomethylammonium nitrate

A: 290-87-9
1,3,5-Triazine

B: 123-39-7
N-Methylformamide

Conditions

Conditions	Yield
With ammonium dinitramide at 30 - 350℃; Sealed tube;

: 290-87-9
1,3,5-Triazine

: 5770-40-1
1,3-dibutyl-pyrimidine-2,4,6-trione

: 5-Aminomethylen-1,3-dibutylbarbitursaeure

Conditions

Conditions	Yield
In ethanol for 0.5h; Heating;	100%

: 290-87-9
1,3,5-Triazine

: 5597-04-6
2-cyanomethylbenzoic acid methyl ester

: 53000-96-7
1-oxo-1,2-dihydroisoquinoline-4-carbonitrile

Conditions

Conditions	Yield
With sodium methylate In methanol at 20℃; for 1h; Inert atmosphere;	100%

: 290-87-9
1,3,5-Triazine

: 39512-49-7
4-(4-chlorophenyl)-4-hydroxypiperidine

: 420-04-2
CYANAMID

: 91126-04-4
4-(p-Chlorphenyl)-1-cyanaminomethylen-4-hydroxypiperidin

Conditions

Conditions	Yield
With piperidine In ethanol for 7h; Heating;	99%

...Expand

: 290-87-9
1,3,5-Triazine

: 420-04-2
CYANAMID

: 55117-80-1
1-(4-chloro-phenyl)-2-methyl-piperazine

: 91126-05-5
4-(p-Chlorphenyl)-1-cyanaminomethylen-2-methylpiperazin

Conditions

Conditions	Yield
With piperidine In ethanol Heating;	99%

...Expand

: 290-87-9
1,3,5-Triazine

: 1109-15-5
tris(pentafluorophenyl)borate

: 445427-23-6
[(C6F5)3B]3C3N3H3

Conditions

Conditions	Yield
In dichloromethane all manipulations under dry N2 atm.; soln. of B compd. reacted with stoich. amt. of base at ambient temp., stirred for 2 h; solvent removed, elem. anal.;	99%

: 290-87-9
1,3,5-Triazine

: 31760-79-9
(R)-1-amino-2-methylferrocene

: 861855-58-5
N,N'-bis[(R)-methylferrocen-1-yl]formamidine

Conditions

Conditions	Yield
In 1,4-dioxane under Ar, Schlenk setup, iron compd. (5.44 mmol) and triazine (3 equiv.)suspn. degassed, heated at 100°C for 2.25 h; evapd., elem. anal.;	99%

: 290-87-9
1,3,5-Triazine

: 62088-12-4
4-(4-nitro-phenyl)-3-oxo-butyric acid ethyl ester

: 72676-89-2
5-(4-nitro-phenyl)-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 1h; Heating;	98%

: 290-87-9
1,3,5-Triazine

: 115-22-0
3-Hydroxy-3-methyl-2-butanone

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 105-53-3
diethyl malonate

: 1379522-12-9
5-(4-chlorobenzyl)-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione

Conditions

Conditions	Yield
Stage #1: 3-Hydroxy-3-methyl-2-butanone; diethyl malonate With sodium ethanolate In ethanol at 20℃; for 0.5h; Stage #2: 1,3,5-Triazine In ethanol at 20℃; for 3h; Stage #3: 1-Chloro-4-(chloromethyl)benzene In ethanol for 3h; Reflux;	98%

...Expand

: 290-87-9
1,3,5-Triazine

: 49589-33-5
1-n-butyl barbituric acid

: 5-Aminomethylen-1-butylbarbitursaeure

Conditions

Conditions	Yield
In ethanol for 0.5h; Heating;	97%

: 290-87-9
1,3,5-Triazine

: 1539-44-2
2,6-dimethyl-4-phenyl-pyridine-3,5-dicarboxylic acid diethyl ester

: 98918-00-4
2-Methyl-5-oxo-4-phenyl-5,6-dihydro-[1,6]naphthyridine-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 3h; Heating;	97%

: 290-87-9
1,3,5-Triazine

: 4350-46-3
diethyl 4-(3,4-methylenedioxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

: 98918-03-7
4-Benzo[1,3]dioxol-5-yl-2-methyl-5-oxo-5,6-dihydro-[1,6]naphthyridine-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 5h; Heating;	96%

: 290-87-9
1,3,5-Triazine

: 101-02-0
triphenyl phosphite

: 7787-70-4
copper(I) bromide

: [(CuBr(P(OC6H5)3))2(triazine)]

Conditions

Conditions	Yield
In chloroform; acetonitrile copper salt and phosphine (1:1) dissolved in CHCl3 at 25°C, slight excess ligand in CH3CN added, pptd on stirring; filtered off, washed (Et2O), dried (vac.), elem. anal.;	96%

...Expand

: 290-87-9
1,3,5-Triazine

: 1273-82-1
aminoferrocene

: 861855-67-6
N,N'-diferrocenylformamidine

Conditions

Conditions	Yield
In 1,4-dioxane under Ar, Schlenk setup, iron compd. (12.0 mmol) and triazine (36 mmol) suspn. degassed, heated at 100°C for 4.5 h; evapd., elem. anal.;	96%

: 290-87-9
1,3,5-Triazine

: 5128-49-4
1-(2-hydroxy-4,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone

: 798-61-8
4',6,7-trimethoxy-isoflavone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; acetic anhydride In diethyl ether; acetic acid Heating;	95%

: 290-87-9
1,3,5-Triazine

: 7726-95-6
bromine

: 13259-96-6
2,4-dibromo-s-triazine hydrobromide

Conditions

Conditions	Yield
In tetrachloromethane in closed tube at 120-125°C, 5 h;	95%
at 125℃;
In tetrachloromethane

: 290-87-9
1,3,5-Triazine

: 603-35-0
triphenylphosphine

: 7787-70-4
copper(I) bromide

: [(CuBr(P(C6H5)3))2(triazine)]

Conditions

Conditions	Yield
In chloroform; acetonitrile copper salt and phosphine (1:1) dissolved in CHCl3 at 25°C, slight excess ligand in CH3CN added, pptd on stirring; filtered off, washed (Et2O), dried (vac.), elem. anal.;	95%

...Expand

: 290-87-9
1,3,5-Triazine

: C48H48Cu3O12

: C51H51Cu3N3O12

Conditions

Conditions	Yield
In methanol; chloroform at 24.99℃; for 1h; Thermodynamic data; Temperature;	95%

: 290-87-9
1,3,5-Triazine

: 2-(1-((3aS,4R,6aR)-2,2-diethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-1H-imidazol-4-yl)acetonitrile

: 5-(1-((3aS,4R,6aR)-2,2-diethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-1H-imidazol-4-yl)pyrimidin-4-amine

Conditions

Conditions	Yield
With sodium methylate at 60℃; for 18h; Inert atmosphere;	95%

: 290-87-9
1,3,5-Triazine

: 502-49-8
cycloactanone

: 6572-17-4
5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine

Conditions

Conditions	Yield
With triethylamine; pyrrolidine-2-carboxylic acid amide In dimethyl sulfoxide at 90℃; for 24h; Diels-Alder Cycloaddition; regioselective reaction;	95%

: 290-87-9
1,3,5-Triazine

: methyl 4-fluoro-2-(2-methoxy-2-oxoethyl)benzoate

: 583880-92-6
methyl 6-fluoro-1-oxo-2H-isoquinoline-4-carboxylate

Conditions

Conditions	Yield
With sodium methylate In methanol at 20℃; for 15h; Inert atmosphere;	94.8%

: 290-87-9
1,3,5-Triazine

: 108290-86-4
2-amino-1H-pyrrole-3-carboxylic acid ethyl ester

: 5655-01-6
3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

Conditions

Conditions	Yield
In ethanol at 190℃;	94.3%

: 110-91-8
morpholine

: 290-87-9
1,3,5-Triazine

: 542-92-7
cyclopenta-1,3-diene

: 54337-05-2
6-morpholinofulvene

Conditions

Conditions	Yield
In ethanol at 20℃; for 24h;	94%

...Expand

: 290-87-9
1,3,5-Triazine

: 7681-65-4
copper(l) iodide

: [(CuI)2(triazine)]

Conditions

Conditions	Yield
In chloroform; acetonitrile copper salt dissolved in solvent, filtered, stirred under N2 at 25°C, ligand in CHCl3 added, stirred for 30 min at 25°C, pptd.,; filtered off, washed (Et2O), dried (vac.), elem. anal.;	94%
In dichloromethane; acetonitrile (argon), standing (room temp., overnight); filtration, washing (CH2Cl2), drying (vac.); elem. anal.;	68%

: 290-87-9
1,3,5-Triazine

: 115-22-0
3-Hydroxy-3-methyl-2-butanone

: 100-44-7
benzyl chloride

: 105-53-3
diethyl malonate

: 1379803-76-5
5-benzyl-1,1-dimethylfuro[3,4-c]pyridine-3,4(1H,5H)-dione

Conditions

Conditions	Yield
Stage #1: 3-Hydroxy-3-methyl-2-butanone; diethyl malonate With sodium ethanolate In ethanol at 20℃; for 0.5h; Stage #2: 1,3,5-Triazine In ethanol at 20℃; for 3h; Stage #3: benzyl chloride In ethanol for 3h; Reflux;	94%

...Expand

: 290-87-9
1,3,5-Triazine

: 109916-61-2, 133645-41-7, 560-24-7
3-hydroxy-3-methyl-pentan-2-one

: 105-53-3
diethyl malonate

: 1379803-73-2
1-ethyl-1-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione

Conditions

Conditions	Yield
Stage #1: 3-hydroxy-3-methyl-pentan-2-one; diethyl malonate With sodium ethanolate In ethanol at 20℃; for 0.5h; Stage #2: 1,3,5-Triazine In ethanol at 20℃; for 3h;	93%

...Expand

: 290-87-9
1,3,5-Triazine

: 502-42-1
cycloheptanone

: 4436-63-9
5H-6,7,8,9-tetrahydrocycloheptapyrimidine

Conditions

Conditions	Yield
With triethylamine; pyrrolidine-2-carboxylic acid amide In dimethyl sulfoxide at 90℃; for 24h; Diels-Alder Cycloaddition; regioselective reaction;	93%

: 290-87-9
1,3,5-Triazine

: 5441-51-0
4-ethylcyclohexanone

: C10H14N2

Conditions

Conditions	Yield
With triethylamine; pyrrolidine-2-carboxylic acid amide In dimethyl sulfoxide at 90℃; for 24h; Diels-Alder Cycloaddition; regioselective reaction;	93%

: 290-87-9
1,3,5-Triazine

: 17159-79-4
ethyl 4-oxocyclohexane-1-carboxylate

: C11H14N2O2

Conditions

Conditions	Yield
With triethylamine; pyrrolidine-2-carboxylic acid amide In dimethyl sulfoxide at 90℃; for 24h; Diels-Alder Cycloaddition; regioselective reaction;	93%

: 290-87-9
1,3,5-Triazine

: 1192-62-7
1-(2-furyl)-1-ethanone

: 17749-82-5
4-(furan-2-yl)pyrimidine

Conditions

Conditions	Yield
With morpholine; triethylamine In methanol at 90℃; for 72h; Diels-Alder Cycloaddition; regioselective reaction;	93%

: 290-87-9
1,3,5-Triazine

: 898803-80-0
2-amino-3-pyrrolecarboxylate methyl ester

: 5655-01-6
3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

Conditions

Conditions	Yield
In 2-methoxy-ethanol at 140℃; Temperature; Solvent;	92.6%

1,3,5-Triazine Specification

The 1,3,5-Triazine, with the CAS registry number 290-87-9 and EINECS registry number 206-028-1, has the systematic name of s-Triazine. It is a kind of moisture sensitive chemical. And the molecular formula of this chemical is C₃H₃N₃. In addition, 1,3,5-Triazineand and its derivatives are useful in a variety of applications.

The physical properties of 1,3,5-Triazine are as following: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.55; (8)ACD/KOC (pH 7.4): 9.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 20.52 cm³; (15)Molar Volume: 69.1 cm³; (16)Polarizability: 8.13×10^-24cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.173 g/cm³; (19)Flash Point: 31.1 °C; (20)Enthalpy of Vaporization: 33.79 kJ/mol; (21)Boiling Point: 114 °C at 760 mmHg; (22)Vapour Pressure: 24 mmHg at 25°C.

Uses of 1,3,5-Triazine: It is used as the equivalent of hydrogen cyanide (HCN). Being a solid (vs a gas for HCN), triazine is sometimes easier to handle in the laboratory. One application is in the Gattermann reaction, used to attach the formyl group to aromatic substrates. In addition, it is a common reagent, and readily forms derivatives, which are used as pharmaceutical products, as well as herbicides, such as atrazine.

You should be cautious while dealing with this chemical. It irritates respiratory system and skin, and may also cause burns. It is also harmful if swallowed. In addition, it has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe dust and then try to avoid contacting with skin and eyes; Take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cncnc1
(2)InChI: InChI=1/C3H3N3/c1-4-2-6-3-5-1/h1-3H
(3)InChIKey: JIHQDMXYYFUGFV-UHFFFAOYAG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
bird - wild	LD50	oral	100mg/kg (100mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
quail	LD50	oral	237mg/kg (237mg/kg)		Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.

Product Name

1,3,5-Triazine

Synthetic route

1,3,5-Triazine Specification

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