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CAS No.: | 3397-62-4 |
---|---|
Name: | 2-CHLORO-4,6-DIAMINO-1,3,5-TRIAZINE |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C3H4ClN5 |
Molecular Weight: | 145.551 |
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; |
EINECS: | 222-260-6 |
Density: | 1.7 g/cm3 |
Melting Point: | >320 °C(lit.) |
Boiling Point: | 487.9 °C at 760 mmHg |
Flash Point: | 248.9 °C |
Appearance: | white to pale yellow crystalline powder |
Hazard Symbols: | Xn,T,F |
Risk Codes: | 36/37/38-20/21/22-39/23/24/25-23/24/25-11 |
Safety: | 22-24/25-45-36/37-16-7 |
PSA: | 90.71000 |
LogP: | 0.85180 |
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% |
terbuthylazine
A
2-Chloro-4,6-diamino-1,3,5-triazine
B
deethylterbuthylazine
D
Deisopropylatrazine
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 25℃; Quantum yield; Oxidation; UV-irradiation; |
6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine
A
2-Chloro-4,6-diamino-1,3,5-triazine
B
Deisopropylhydroxyatrazine
C
Deethylatrazine
D
Hydroxyatrazine
F
Deisopropylatrazine
Conditions | Yield |
---|---|
With titanium(IV) oxide In perchloric acid; water Mechanism; Irradiation; other reagent; |
6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine
A
2-Chloro-4,6-diamino-1,3,5-triazine
B
Deethylatrazine
C
Deisopropylatrazine
Conditions | Yield |
---|---|
manganese(IV) oxide In diethyl ether at 30℃; for 72h; Product distribution; Further Variations:; Reagents; Temperatures; Dealkylation; |
Conditions | Yield |
---|---|
In water for 60h; pH=6.5; Product distribution; Kinetics; Further Variations:; also in the presence of NaNO3; Decomposition; Photolysis; |
Deisopropylatrazine
A
2-Chloro-4,6-diamino-1,3,5-triazine
B
Deisopropylhydroxyatrazine
Conditions | Yield |
---|---|
In water for 60h; pH=6.5; Product distribution; Kinetics; Further Variations:; also in the presence of NaNO3; Decomposition; Photolysis; |
1,3,5-trichloro-2,4,6-triazine
ammonia
acetone
2-Chloro-4,6-diamino-1,3,5-triazine
2-Chloro-4,6-diamino-1,3,5-triazine
Conditions | Yield |
---|---|
With hydrogenchloride; water |
1,3,5-trichloro-2,4,6-triazine
A
4,6-dichloro-1,3,5-triazin-2-amine
B
2-Chloro-4,6-diamino-1,3,5-triazine
Conditions | Yield |
---|---|
With ammonia In diethyl ether 0°C; |
Conditions | Yield |
---|---|
With titanium(IV) oxide In water for 0.25h; pH=6; UV-irradiation; |
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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%.
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%.
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