1,3,5-Triazine-2,4-diamine,6-chloro- supplier

Name
2-CHLORO-4,6-DIAMINO-1,3,5-TRIAZINE
EINECS 222-260-6
CAS No. 3397-62-4
Article Data37
CAS DataBase
Density 1.7 g/cm³
Solubility
Melting Point >320 °C(lit.)
Formula C₃H₄ClN₅
Boiling Point 487.9 °C at 760 mmHg
Molecular Weight 145.551
Flash Point 248.9 °C
Transport Information
Appearance white to pale yellow crystalline powder
Safety 22-24/25-45-36/37-16-7
Risk Codes 36/37/38-20/21/22-39/23/24/25-23/24/25-11
Molecular Structure
Hazard Symbols Xn,T,F
Synonyms s-Triazine,2,4-diamino-6-chloro- (6CI,7CI,8CI);2,4-Diamino-6-chloro-1,3,5-triazine;2,4-Diamino-6-chloro-s-triazine;2,4-Diamino-6-chlorotriazine;2-Chloro-4,6-bis(amino)-1,3,5-triazine;2-Chloro-4,6-bisamino-s-triazine;2-Chloro-4,6-diamino-1,3,5-triazine;2-Chloro-4,6-diamino-s-triazine;4,6-Diamino-2-chloro-s-triazine;6-Chloro-1,3,5-triazine-2,4-diamine;6-Chloro-2,4-diamino-1,3,5-triazine;Chloroammeline;DACT;Deethyldeisopropylatrazine;Deisopropyldeethyl atrazine;Desethyldesisopropylatrazine;Didealkylatrazine;Dideethylsimazine;ENT 50982;G 28273;NSC 680830;NSC 7965;
PSA 90.71000
LogP 0.85180

Synthetic route

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

Conditions

Conditions	Yield
With ammonium hydroxide In 1,2-dichloro-ethane at 3 - 42℃; for 6h; Temperature; Solvent;	96%
With ammonia In water; acetone at 10℃; for 4h; Heating;	95%
With ammonia In water; acetone at 60℃; for 4h;	91%

: 5915-41-3
terbuthylazine

A: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

B: 30125-63-4
deethylterbuthylazine

C: 2-chloro-4-acetamido-6-tert-butylamino-1,3,5-triazine

D: 1007-28-9
Deisopropylatrazine

Conditions

Conditions	Yield
With dihydrogen peroxide In water at 25℃; Quantum yield; Oxidation; UV-irradiation;

...Expand

: 1912-24-9
6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine

A: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

B: 7313-54-4
Deisopropylhydroxyatrazine

C: 6190-65-4
Deethylatrazine

D: 2163-68-0
Hydroxyatrazine

E: 2-amino-4-hydroxy-6-(isopropylamino)-s-triazine

F: 1007-28-9
Deisopropylatrazine

Conditions

Conditions	Yield
With titanium(IV) oxide In perchloric acid; water Mechanism; Irradiation; other reagent;

...Expand

: 1912-24-9
6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine

A: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

B: 6190-65-4
Deethylatrazine

C: 1007-28-9
Deisopropylatrazine

Conditions

Conditions	Yield
manganese(IV) oxide In diethyl ether at 30℃; for 72h; Product distribution; Further Variations:; Reagents; Temperatures; Dealkylation;

...Expand

: 6190-65-4
Deethylatrazine

A: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

B: 2-amino-4-hydroxy-6-(isopropylamino)-s-triazine

C: 6-Amino-4-acetamido-2-chloro-s-triazine

Conditions

Conditions	Yield
In water for 60h; pH=6.5; Product distribution; Kinetics; Further Variations:; also in the presence of NaNO3; Decomposition; Photolysis;

...Expand

: 1007-28-9
Deisopropylatrazine

A: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

B: 7313-54-4
Deisopropylhydroxyatrazine

C: 6-Amino-4-acetamido-2-chloro-s-triazine

Conditions

Conditions	Yield
In water for 60h; pH=6.5; Product distribution; Kinetics; Further Variations:; also in the presence of NaNO3; Decomposition; Photolysis;

...Expand

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

: 7664-41-7
ammonia

: 67-64-1
acetone

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

...Expand

potassium-salt of N,N'-dicyano-guanidine: potassium-salt of N,N'-dicyano-guanidine

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

Conditions

Conditions	Yield
With hydrogenchloride; water

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

A: 933-20-0
4,6-dichloro-1,3,5-triazin-2-amine

B: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

Conditions

Conditions	Yield
With ammonia In diethyl ether 0°C;

: 122-34-9
Simazine

A: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

B: 1007-28-9
Deisopropylatrazine

Conditions

Conditions	Yield
With titanium(IV) oxide In water for 0.25h; pH=6; UV-irradiation;

: 645-92-1
ammeline

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

Conditions

Conditions	Yield
With thionyl chloride In toluene at 5 - 65℃; for 0.5h; Temperature;	21.91 g

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 765-30-0
Cyclopropylamine

: 66215-27-8
cyromazine

Conditions

Conditions	Yield
With sodium hydroxide at 70 - 85℃; for 6h; pH=9.5; pH-value; Temperature;	96.37%
With potassium carbonate In water at 95 - 100℃; for 4h; pH=7.5 - 8.5; Temperature; Reagent/catalyst;	90.1%
With sodium hydroxide at -10 - 10℃; for 10h; Temperature;	24.47 g

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 124-40-3
dimethyl amine

: 1985-46-2
2,4-diamino-6-dimethylamino-1,3,5-triazine

Conditions

Conditions	Yield
With sodium hydroxide In water for 4h; Reflux;	96%
In water at 120℃; for 2h; Microwave irradiation; Inert atmosphere;	90%
With ethanol

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 109-73-9
N-butylamine

: 5606-24-6
2-n-butylamino-4,6-diamino-1,3,5-triazine

Conditions

Conditions	Yield
In water	96%
With sodium hydroxide
In water at 10 - 85℃; for 6h;

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 104-10-9
2-(4'-aminophenyl)ethyl alcohol

: 291755-52-7
2-[4-(4,6-diamino-[1,3,5]triazin-2-ylamino)-phenyl]-ethanol

Conditions

Conditions	Yield
With sodium hydroxide Condensation; Heating;	96%
With sodium hydroxide for 3.5h; Heating;

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 56-40-6
glycine

: 945035-83-6
2-(4,6-diamino-1,3,5-triazin-2-ylamino)ethanoic acid

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water at 80℃; for 48h;	95%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 302-72-7
rac-Ala-OH

: 118767-71-8
2-(4,6-diamino-1,3,5-triazin-2-ylamino)propanoic acid

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water at 150℃; for 4h; Microwave irradiation;	95%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 13734-28-6
Boc-Lys-OH

: 1354418-23-7
(S)-2-((tert-butoxycarbonyl)amino)-6-((4,6-diamino-1,3,5-triazin-2-yl)amino)hexanoic acid

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4,6-diamino-1,3,5-triazine; Boc-Lys-OH With sodium hydroxide In water at 85℃; Stage #2: With hydrogenchloride In water at 0℃; pH=5;	95%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 99-92-3
4-Aminoacetophenone

: 1-((4-(4,6-diamino-1,3,5-triazin-2-ylamino))phenyl)ethanone

Conditions

Conditions	Yield
In 1,4-dioxane for 20h; Reflux; Inert atmosphere;	93%
With hydrogenchloride

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 108-24-7
acetic anhydride

: 2,4-diacetylamino-6-chloro-1,3,5-triazine

Conditions

Conditions	Yield
at 120℃; for 1h;	93%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 122-80-5
N-acetyl-p-phenylenediamine

: 57230-73-6
2-(4-acetylaminophenyl)-4,6-diamino-1,3,5-triazine

Conditions

Conditions	Yield
With sodium hydroxide In water for 4.5h; Heating;	92%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 722-27-0
bis(4-aminophenyl)disulfide

: bis(4-melaminophenyl)disulfide

Conditions

Conditions	Yield
With hydrogenchloride In water at 100℃; for 1h;	91.2%

: 123-91-1
1,4-dioxane

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 124-30-1
1-aminooctadecane

: 21840-04-0
2,4-diamino-6-octadecyl-amino-1,3,5-triazine

Conditions

Conditions	Yield
With sodium hydroxide In water; toluene	91%

...Expand

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 355386-94-6
quinolin-5-ylboronic acid

: 2,4-diamino-6-quinolyl-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4,6-diamino-1,3,5-triazine; quinolin-5-ylboronic acid With sodium carbonate; tetrakis-(triphenylphosphino)-palladium(0) In 1,4-dioxane for 48h; Suzuki cross-coupling reaction; Heating; Stage #2: In tetrahydrofuran for 1h;	90%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 56-12-2
4-amino-n-butyric acid

: 1193812-77-9
4-(4,6-diamino-1,3,5-triazin-2-ylamino)butanoic acid

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water at 80℃; for 48h;	90%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 106-40-1
4-bromo-aniline

: 93167-96-5
2-N-(4-bromophenyl)-1,3,5-triazine-2,4,6-triamine

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4,6-diamino-1,3,5-triazine; 4-bromo-aniline In water Reflux; Stage #2: With sodium hydroxide In water for 6.5h; Reflux;	90%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 2450-71-7
Propargylamine

: C6H8N6

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water at 80℃;	88%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 107-11-9
1-amino-2-propene

: 6494-74-2
N2-propenyl-1,3,5-triazine-2,4,6-triamine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water at 80℃; Inert atmosphere;	85%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 767-17-9
4,6-diamino-1,3,5-triazine-2(1H)-thione

Conditions

Conditions	Yield
With sodium thiosulfate In ethanol; water Heating;	84%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 60-09-3
aniline yellow

: 1403756-48-8
C15H14N8

Conditions

Conditions	Yield
Stage #1: 2-Chloro-4,6-diamino-1,3,5-triazine With hydrogenchloride In 1-methyl-pyrrolidin-2-one; water at 40℃; for 0.5h; Stage #2: aniline yellow In 1-methyl-pyrrolidin-2-one at 100℃; for 5h;	84%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 56-17-7
cystamine dihydrochioride

: 500999-67-7
C10H18N12S2

Conditions

Conditions	Yield
With sodium hydroxide In water Reflux;	81%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 156-87-6
propan-1-ol-3-amine

: 91313-29-0
3-(4,6-diamino-1,3,5-triazin-2-ylamino)propan-1-ol

Conditions

Conditions	Yield
With sodium hydrogencarbonate In methanol; water at 140℃; for 0.416667h; Microwave irradiation;	80%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 110-60-1
1,4-diaminobutane

: 223494-85-7
N2-(4-aminobutyl)-1,3,5-triazine-2,4,6-triamine

Conditions

Conditions	Yield
at 130℃;	80%
In ethanol for 18h; Reflux; Inert atmosphere;	58%
at 130℃; for 12h;

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 1765-93-1
4-fluoroboronic acid

: 30530-44-0
2,4-diamino-6-(4-fluorophenyl)-1,3,5-triazine

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane Suzuki cross-coupling reaction; Heating;	77%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 2783-17-7
1,12-Diaminododecane

: C18H34N12

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol at 80℃; for 19h;	77%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 5720-07-0
4-methoxyphenylboronic acid

: 30354-91-7
6-(4-methoxyphenyl)-[1,3,5]-triazine-2,4-diamine

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane Suzuki cross-coupling reaction; Heating;	76%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 124-22-1
n-Dodecylamine

: 5606-11-1
2,4-diamino-6-dodecylamino-1,3,5-triazine

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane for 6h; Reflux;	75%
With sodium hydrogencarbonate In 1,4-dioxane for 6h; Heating;	60%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 75178-96-0
N-Boc-1,3-diaminopropane

: 1158040-48-2
tert-butyl 3-(4,6-diamino-1,3,5-triazin-2-ylamino)propylcarbamate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In methanol; water at 140℃; for 0.166667h; Microwave irradiation;	75%

: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 5720-05-8
4-methylphenylboronic acid

: 19338-12-6
2,4-diamino-6-(4-methylphenyl)-1,3,5-triazine

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane Suzuki cross-coupling reaction; Heating;	73%

1,3,5-Triazine-2,4-diamine,6-chloro- Specification

The 1,3,5-Triazine-2,4-diamine,6-chloro-, with the CAS registry number 3397-62-4, is also known as 2-Chloro-4,6-diamino-1,3,5-triazine. Its EINECS number is 222-260-6. It belongs to the product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; A; A-B Alphabetic; Alpha sort; AR to AZ Environmental Standards; Herbicides; MetabolitesPesticides&Metabolites; Pesticides&Metabolites; Triazines. This chemical's molecular formula is C₃H₄ClN₅ and molecular weight is 145.55. What's more, its systematic name is 6-Chloro-1,3,5-triazine-2,4-diamine.

Physical properties of 1,3,5-Triazine-2,4-diamine,6-chloro- are: (1)ACD/LogP: -1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.05; (4)ACD/LogD (pH 7.4): -1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.41; (8)ACD/KOC (pH 7.4): 6.42; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.15 Å²; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 33.89 cm³; (15)Molar Volume: 85.6 cm³; (16)Polarizability: 13.43×10^-24cm³; (17)Surface Tension: 109.9 dyne/cm; (18)Density: 1.7 g/cm³; (19)Flash Point: 248.9 °C; (20)Enthalpy of Vaporization: 75.39 kJ/mol; (21)Boiling Point: 487.9 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,4,6-trichloro-[1,3,5]triazine at the temperature of 60 °C. This reaction will need reagent NH₃ and solvents H₂O, acetone with the reaction time of 4 hours. The yield is about 91%.

1,3,5-Triazine-2,4-diamine,6-chloro- can be prepared by 2,4,6-trichloro-[1,3,5]triazine at the temperature of 60 °C

Uses of 1,3,5-Triazine-2,4-diamine,6-chloro-: it can be used to produce 4,6-diamino-1H-[1,3,5]triazine-2-thione under heating. It will need reagent Na₂S₂O₃•5H₂O and solvents ethanol, H₂O. The yield is about 84%.

1,3,5-Triazine-2,4-diamine,6-chloro- can be used to produce 4,6-diamino-1H-[1,3,5]triazine-2-thione under heating

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and irritating to eyes, respiratory system and skin. Besides, it is harmful and toxic by inhalation, in contact with skin and if swallowed as it can cause danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. When storing, the container needs to be kept tightly closed and kept away from sources of ignition - No smoking. When using it, you can't breathe dust and avoid your skin and eyes contacting with it. What's more, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=NC(=NC(=N1)Cl)N)N
(2)InChI: InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
(3)InChIKey: FVFVNNKYKYZTJU-UHFFFAOYSA-N

Product Name

2-CHLORO-4,6-DIAMINO-1,3,5-TRIAZINE

Synthetic route

1,3,5-Triazine-2,4-diamine,6-chloro- Specification

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