[ CAS No. 1455-77-2 ] {[proInfo.proName]}

Name: 1455-77-2|3,5-Diamino-1,2,4-triazole|98%
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SKU: A245318
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Quality Control of [ 1455-77-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1455-77-2 ]

Product Details of [ 1455-77-2 ]

CAS No. :	1455-77-2	MDL No. :	MFCD00005233
Formula :	C₂H₅N₅	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PKWIYNIDEDLDCJ-UHFFFAOYSA-N
M.W :	99.09	Pubchem ID :	15078
Synonyms :

Calculated chemistry of [ 1455-77-2 ]

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	3.0
Molar Refractivity :	25.19
TPSA :	93.61 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.41 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-0.52
Log Po/w (XLOGP3) :	-0.71
Log Po/w (WLOGP) :	-1.01
Log Po/w (MLOGP) :	-1.84
Log Po/w (SILICOS-IT) :	-0.14
Consensus Log Po/w :	-0.84

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.54
Solubility :	28.9 mg/ml ; 0.291 mol/l
Class :	Very soluble
Log S (Ali) :	-0.78
Solubility :	16.4 mg/ml ; 0.166 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.06
Solubility :	85.5 mg/ml ; 0.863 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.75

Safety of [ 1455-77-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1455-77-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 1455-77-2 ]
Downstream synthetic route of [ 1455-77-2 ]

[ 1455-77-2 ] Synthesis Path-Upstream 1~16

1
[ 77287-34-4 ]
[ 23147-58-2 ]
[ 1455-77-2 ]
[ 849585-22-4 ]
[ 328-42-7 ]
[ 110-15-6 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 66-22-8 ]
[ 56-06-4 ]
[ 57-13-6 ]

Reference： [1] Chemistry - A European Journal, 2018, vol. 24, # 32, p. 8126 - 8132

2
[ 77287-34-4 ]
[ 23147-58-2 ]
[ 1455-77-2 ]
[ 120-89-8 ]
[ 849585-22-4 ]
[ 73-40-5 ]
[ 110-15-6 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 113-00-8 ]
[ 127-17-3 ]
[ 57-13-6 ]
[ 302-72-7 ]
[ 18588-61-9 ]

Reference： [1] Chemistry - A European Journal, 2018, vol. 24, # 32, p. 8126 - 8132

3
[ 127099-85-8 ]
[ 1455-77-2 ]

Yield	Reaction Conditions	Operation in experiment
72%	With hydrazine hydrate; hydrazinium sulfate In water at 50 - 125℃; for 16 h;	500mL water was added into a 2000ml three-necked flask, Then 200.0 g of dicyandiamide was stirred vigorously for 20 minutes to form a cloudy liquid,Then 155g hydrazine sulfate added, And the mixture was heated to 50 °C. 80percentconcentrationof hydrazine hydrate 72 ml are added and the reaction heated to 120 °C to 125 °C during which time all the solids slowly dissolve. The reaction was stirred at this temperature for 16 hours. After this time, a small amount of solids precipitated from the solution. After the reaction was completed, heating was stopped and the reaction mixture was cooled to room temperature. Add 100 mL of 10percent strength sodium carbonate solution to adjust pH to 9 .The reaction was transferred to a 2 L separatory funnel, the organic phase was extracted with 500 mL of dichloromethane, the organic phase was washed with water and dried over anhydrous sodium sulfate, evaporation of methylene chloride gave a white solid, After drying in a hot air oven, 169 g of white 3,5-diamino 1,2,4-triazole (yield based on dicyandiamide: 72percent) was obtained. .

Reference： [1] Patent: CN105968058, 2016, A, . Location in patent: Paragraph 0073; 0074; 0075
[2] Chemische Berichte, 1912, vol. 45, p. 2733
[3] Journal fuer Praktische Chemie (Leipzig), 1913, vol. <2>88, p. 312
[4] Gazzetta Chimica Italiana, 1894, vol. 24, p. I 491
[5] Chemistry - A European Journal, 2010, vol. 16, # 5, p. 1572 - 1584

4
[ 420-04-2 ]
[ 1455-77-2 ]

Yield	Reaction Conditions	Operation in experiment
88%	Stage #1: at 110℃; for 3 h; Autoclave; Industrial scale Stage #2: With sodium sulfide In water for 0.5 h; Reflux; Industrial scale	A 10 L autoclave was charged with 2.5 Kg of copper hydroxide (98percent), 3.0 Kg of ammonium chloride (99percent) and cyanamine (50percent) 4.2 Kg. The amount of material to be cast is only 1: 2.2: 2, In sealed and stirred state,The autoclave was pressurized and slowly warmed to 110 degrees Celsius. After 3 hours of reaction, the reaction temperature was slowly lowered to room temperature and a dark red solid was obtained after filtration. transfer the red solid to a 50L glass reaction kettle, 25 L of 1.4 kg sodium sulfide in water was added.Heated to reflux for 30 minutes to produce a red precipitate, the mixture was filtered through a filter cartridge to the extraction kettle,In the extraction vessel was added 15L dichloromethane, the organic phase was extracted, evaporated to dryness dichloromethane to give a white solid,After drying in a hot air oven, 2.2 kg of white 3,5-diamino 1,2,4-triazole(yield: 88percent in terms of cyanamide) was obtained.

Reference： [1] Patent: CN105968058, 2016, A, . Location in patent: Paragraph 0049; 0050; 0051

5
[ 127099-85-8 ]
[ 1455-77-2 ]
[ 7144-22-1 ]

Reference： [1] Russian Journal of Applied Chemistry, 1999, vol. 72, # 10, p. 1780 - 1783

6
[ 7803-57-8 ]
[ 127099-85-8 ]
[ 1455-77-2 ]

Reference： [1] Dalton Transactions, 2015, vol. 44, # 16, p. 7586 - 7594

7
[ 131023-09-1 ]
[ 60-34-4 ]
[ 1455-77-2 ]
[ 20184-94-5 ]

Reference： [1] Journal of Heterocyclic Chemistry, 1992, vol. 29, p. 1677 - 1683

8
[ 86147-15-1 ]
[ 1455-77-2 ]

Reference： [1] Russian Journal of Applied Chemistry, 2006, vol. 79, # 4, p. 624 - 630

9
[ 77287-34-4 ]
[ 23147-58-2 ]
[ 1455-77-2 ]
[ 849585-22-4 ]
[ 328-42-7 ]
[ 110-15-6 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 66-22-8 ]
[ 56-06-4 ]
[ 57-13-6 ]

Reference： [1] Chemistry - A European Journal, 2018, vol. 24, # 32, p. 8126 - 8132

10
[ 77287-34-4 ]
[ 51953-18-5 ]
[ 1455-77-2 ]
[ 120-89-8 ]
[ 849585-22-4 ]
[ 73-40-5 ]
[ 328-42-7 ]
[ 2491-15-8 ]
[ 110-15-6 ]
[ 71-30-7 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 113-00-8 ]
[ 127-17-3 ]
[ 66-22-8 ]
[ 56-06-4 ]
[ 66224-66-6 ]
[ 57-13-6 ]
[ 56-40-6 ]
[ 302-72-7 ]
[ 18588-61-9 ]

Reference： [1] Chemistry - A European Journal, 2018, vol. 24, # 32, p. 8126 - 8132

11
[ 77287-34-4 ]
[ 51953-18-5 ]
[ 1455-77-2 ]
[ 120-89-8 ]
[ 73-40-5 ]
[ 328-42-7 ]
[ 2491-15-8 ]
[ 110-15-6 ]
[ 71-30-7 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 113-00-8 ]
[ 127-17-3 ]
[ 66-22-8 ]
[ 66224-66-6 ]
[ 57-13-6 ]
[ 56-40-6 ]
[ 302-72-7 ]

Reference： [1] Chemistry - A European Journal, 2018, vol. 24, # 32, p. 8126 - 8132

12
[ 77287-34-4 ]
[ 23147-58-2 ]
[ 1455-77-2 ]
[ 120-89-8 ]
[ 849585-22-4 ]
[ 73-40-5 ]
[ 110-15-6 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 113-00-8 ]
[ 127-17-3 ]
[ 57-13-6 ]
[ 302-72-7 ]
[ 18588-61-9 ]

Reference： [1] Chemistry - A European Journal, 2018, vol. 24, # 32, p. 8126 - 8132

13
[ 77287-34-4 ]
[ 23147-58-2 ]
[ 1455-77-2 ]
[ 849585-22-4 ]
[ 328-42-7 ]
[ 110-15-6 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 66-22-8 ]
[ 56-06-4 ]
[ 57-13-6 ]

Reference： [1] Chemistry - A European Journal, 2018, vol. 24, # 32, p. 8126 - 8132

14
[ 77287-34-4 ]
[ 51953-18-5 ]
[ 1455-77-2 ]
[ 120-89-8 ]
[ 849585-22-4 ]
[ 73-40-5 ]
[ 328-42-7 ]
[ 2491-15-8 ]
[ 110-15-6 ]
[ 71-30-7 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 113-00-8 ]
[ 127-17-3 ]
[ 66-22-8 ]
[ 56-06-4 ]
[ 66224-66-6 ]
[ 57-13-6 ]
[ 56-40-6 ]
[ 302-72-7 ]
[ 18588-61-9 ]

Reference： [1] Chemistry - A European Journal, 2018, vol. 24, # 32, p. 8126 - 8132

15
[ 77287-34-4 ]
[ 51953-18-5 ]
[ 1455-77-2 ]
[ 120-89-8 ]
[ 849585-22-4 ]
[ 73-40-5 ]
[ 328-42-7 ]
[ 2491-15-8 ]
[ 110-15-6 ]
[ 71-30-7 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 113-00-8 ]
[ 127-17-3 ]
[ 66-22-8 ]
[ 56-06-4 ]
[ 66224-66-6 ]
[ 57-13-6 ]
[ 56-40-6 ]
[ 302-72-7 ]
[ 18588-61-9 ]

Reference： [1] Chemistry - A European Journal, 2018, vol. 24, # 32, p. 8126 - 8132

16
[ 77287-34-4 ]
[ 51953-18-5 ]
[ 1455-77-2 ]
[ 120-89-8 ]
[ 73-40-5 ]
[ 328-42-7 ]
[ 2491-15-8 ]
[ 110-15-6 ]
[ 71-30-7 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 113-00-8 ]
[ 127-17-3 ]
[ 66-22-8 ]
[ 66224-66-6 ]
[ 57-13-6 ]
[ 56-40-6 ]
[ 302-72-7 ]

Reference： [1] Chemistry - A European Journal, 2018, vol. 24, # 32, p. 8126 - 8132

[ 1455-77-2 ] Synthesis Path-Downstream 1~50

1
[ 1455-77-2 ]
[ 5436-21-5 ]
[ 99969-13-8 ]

Reference： [1]Allen et al. [Journal of Organic Chemistry, 1959, vol. 24, p. 787,792]

2
[ 1455-77-2 ]
[ 628-36-4 ]
[ 27643-43-2 ]

Reference： [1]Gazzetta Chimica Italiana,1952,vol. 82,p. 730,733

3
[ 1455-77-2 ]
[ 132-54-7 ]
[ 109103-56-2 ]

Reference： [1]Patent: US2823998,1950,

4
[ 1455-77-2 ]
[ 1540-29-0 ]
2-amino-6-butyl-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one [ No CAS ]

Reference： [1]Patent: US2566658,1949,

5
[ 10602-37-6 ]
[ 1455-77-2 ]
[ 85599-33-3 ]

Yield	Reaction Conditions	Operation in experiment
76%	With acetic acid for 1.5h; Heating;

Reference： [1]Kuenstlinger, M.; Breitmaier, E. [Synthesis, 1983, # 1, p. 44 - 47]

6
[ 1455-77-2 ]
[ 69549-51-5 ]
[ 64-19-7 ]
[ 85599-38-8 ]

Yield	Reaction Conditions	Operation in experiment
89%	for 1.5h; Heating;

Reference： [1]Kuenstlinger, M.; Breitmaier, E. [Synthesis, 1983, # 1, p. 44 - 47]

7
[ 1455-77-2 ]
[ 108-24-7 ]
[ 80616-55-3 ]

Yield	Reaction Conditions	Operation in experiment
	Heating; Yield given;

Reference： [1]Dias Selassie; Lien; Khwaja [Journal of Pharmaceutical Sciences, 1981, vol. 70, # 11, p. 1281 - 1283]

8
[ 1455-77-2 ]
[ 75-36-5 ]
[ 80616-55-3 ]

Yield	Reaction Conditions	Operation in experiment
	In toluene Yield given;

Reference： [1]Dias Selassie; Lien; Khwaja [Journal of Pharmaceutical Sciences, 1981, vol. 70, # 11, p. 1281 - 1283]

9
[ 1455-77-2 ]
[ 153493-48-2 ]
9H-6-oxa-1,2,3a,4,5,7,8,9-octaaza-cyclopenta[a]-s-indacen-3-ylamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
66%	With triethylamine In acetonitrile at 20℃; for 1h;

Reference： [1]Starchenkov; Andrianov [Chemistry of Heterocyclic Compounds, 1997, vol. 33, # 11, p. 1352 - 1354]

10
[ 1455-77-2 ]
[ 10327-87-4 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; sodium nitrite Erhitzen der Reaktionsloesung;

Reference： [1]Stolle; Dietrich [Journal fur praktische Chemie (Leipzig 1954), 1934, vol. <2>139, p. 193,195,203]

11
[ 1455-77-2 ]
[ 24415-66-5 ]
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1H-[1,2,4]triazole-3,5-diamine [ No CAS ]

Reference： [1]Russian Journal of Organic Chemistry,2000,vol. 36,p. 866 - 872

12
[ 1455-77-2 ]
[ 34772-98-0 ]
[ 338793-17-2 ]

Yield	Reaction Conditions	Operation in experiment
66%	With (1S)-10-camphorsulfonic acid In toluene at 100℃; for 1.5h; Heating / reflux;	001 2-acetylthiophene (8.20 g) and N,N-dimethylformamide diethyl acetal (13.6 mL) were heated to reflux at 130°C in xylene (13 mL) for two days. The reaction liquid was concentrated under reduced pressure, and after subjected to azeotropic distillation with toluene, crystallized with a mixed solvent of toluene-hexane and 3-dimethylamino-1-thiophen-2-ylpropenone (11.52g, yield 98%) was obtained. The obtained 3-dimethylamino-1-thiophen-2-ylpropenone (10.78 g) was dissolve in toluene (160 mL) and stirred at 100°C with 3,5-diamino-1,2,4-triazole (14.15 g) added. After 10-camphor sulfonic acid (13.82 g) was added, it was heated to reflux for 1.5 hours. After having cooled to room temperature, the supernatant was removed (decantation). The residue was suspended and washed with 5% sodium carbonate/10% ethanol aqueous solution, 10% ethanol water, absolute ethanol and methylene chloride in this order and dried under reduced pressure and the title compound was obtained (8.55 g, yield 66%).

Reference： [1]Current Patent Assignee: NIPPON KAYAKU CO LTD - EP1674454, 2006, A1 Location in patent: Page/Page column 19

13
[ 1455-77-2 ]
[ 18096-70-3 ]
[ 303145-64-4 ]

Yield	Reaction Conditions	Operation in experiment
61%	With (1S)-10-camphorsulfonic acid In toluene	005 4'-methoxy acetophenone was used in place of 2-acetylthiophene in Reference Example 001 and heated to reflux in xylene in the presence of N,N-dimethylformamide diethyl acetal as in Reference Example 001, and 3-dimethylamino-1-(4-methoxyphenyl)propenone (yield 99%) was obtained, which was subsequently reacted with 3,5-diamino-1,2,4-triazole in toluene in the presence of 10-camphor sulfonic acid and the title compound was obtained (yield 61%).

Reference： [1]Current Patent Assignee: NIPPON KAYAKU CO LTD - EP1674454, 2006, A1 Location in patent: Page/Page column 19

14
[ 1455-77-2 ]
[ 34772-98-0 ]
[ 338793-17-2 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: guanazole; 3-dimethylamino-1-thiophen-2-ylpropenone In toluene at 100℃; Stage #2: With camphor-10-sulfonic acid In toluene for 1.5h; Heating / reflux;	1 Reference Example 1: The obtained 3-dimethylamino-1-thiophen-2-ylpropenone (10.78 g) was dissolved in toluene (160 ml). Thereafter, 3,5-diamino-1,2,4-triazole (14.15 g) was added to the solution, and the obtained mixture was stirred at 100°C. After 10-camphorsulfonic acid (13.82 g) was added thereto, the mixture was heated to reflux for 1.5 hours. The reaction solution was cooled to a room temperature, and the supernatant was then eliminated (decant). The residue was washed by successive suspension in an aqueous 5% sodium carbonate-10% ethanol solution, a 10% ethanol solution, ethanol, and methylene chloride. The resultant was then dried under a reduced pressure to obtain the captioned compound (8.55 g).

Reference： [1]Current Patent Assignee: NIPPON KAYAKU CO LTD - EP1630165, 2006, A1 Location in patent: Page/Page column 22

15
[ 1455-77-2 ]
[ 93-91-4 ]
[ 72966-19-9 ]

Yield	Reaction Conditions	Operation in experiment
	In dichloromethane; acetic acid; ethyl acetate	6 Preparation of 2-Chloro-5-methyl-7-phenyl-1,2,4-triazolo[1,5-a]pyrimidine EXAMPLE 6 Preparation of 2-Chloro-5-methyl-7-phenyl-1,2,4-triazolo[1,5-a]pyrimidine A mixture of 14 g (141.4 mmol) of 3,5-diamino-1,2,4-triazole and 24.0 g (148.1 mmol) benzoylacetone was heated in 200 ml of glacial acetic acid at reflux for 2 hours. A solution soon formed after heating. The solvent was removed in vacuo and the residue dissolved in 400 ml of methylene chloride which was then washed with water (2X), brine and dried over magnesium sulfate. The solution was concentrated in vacuo (not to complete dryness) and ethyl acetate added to the residue. The precipitated solid was filtered and washed with ethyl acetate to give 16.0 g of reasonably pure intermediate 5-methyl-7-phenyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine which was able to be taken on directly to the next step without further purification m.p. 246°-250°.
	In dichloromethane; acetic acid; ethyl acetate	7 Preparation of 2-Bromo-5-methyl-7-phenyl-1,2,4-triazolo[1,5-a]pyrimidine EXAMPLE 7 Preparation of 2-Bromo-5-methyl-7-phenyl-1,2,4-triazolo[1,5-a]pyrimidine A mixture of 7.0 g (71 mmol) 3,5-diamino-1,2,4-triazole and 12.0 g (74 mmol) benzoylacetone in 100 ml of glacial acetic acid was heated at reflux 2 hours. After cooling, methylene chloride (200 ml) was added followed by the addition of excess water. The organic layer was separated, washed with water, brine, dried over magensium sulfate and evaporated in vacuo to give a solid residue to which ethyl acetate was added. Filtering gave 16.0 g of crude 5-methyl-7-phenyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine (m.p. 246°-250° C.) which was used directly in the next step.

Reference： [1]Current Patent Assignee: DUPONT DE NEMOURS INC - US5127936, 1992, A
[2]Current Patent Assignee: DUPONT DE NEMOURS INC - US5127936, 1992, A

16
[ 1455-77-2 ]
[ 3468-11-9 ]
[ CAS Unavailable ]
[ 14055-02-8 ]
[ 157149-04-7 ]

Yield	Reaction Conditions	Operation in experiment
65%	In not given molar ratio of indoline : triazole = 5:1; triturated with hot MeOH;

Reference： [1]Fernandez-Lazaro, Fernando; Sastre, Angela; Torres, Tomas [Journal of the Chemical Society. Chemical communications, 1994, # 13, p. 1525 - 1526]

17
cadmium(II) nitrate tetrhydrate [ No CAS ]
[ 64-02-8 ]
[ 1455-77-2 ]
[Cd(3,5-diamino-1,2,4-triazole)2(ethylenediaminetetraacetic acid(-2H))] [ No CAS ]

Reference： [1]Inorganic Chemistry,2008,vol. 47,p. 4861 - 4876

18
[ 1455-77-2 ]
[ 10327-87-4 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; sodium nitrite for 1.3h; Cooling with ice;	16.A Step A: Preparation of 3,5-dichloro-1H-1,2,4-triazole To a solution of concentrated aqueous hydrochloric acid (50 mL) in an ice (50 mL) was added 3,5-diamino-1,2,4-triazole (2.10 g, 21.2 mmol) and sodium nitrite (4.4 g, 63.7 mmol) sequentially over a period of 15 minutes. The reaction mixture was stirred for 1 h and warmed to room temperature. The reaction mixture was extracted with ether (300 mL). The combined organic layers were washed with saturated aqueous sodium chloride, dried (MgSO4), filtered, and concentrated to give 2.75 g of the title compound as a light yellow solid suitable for use in subsequent reactions.

Reference： [1]Current Patent Assignee: DUPONT DE NEMOURS INC - US2010/240619, 2010, A1 Location in patent: Page/Page column 69

19
[ 1455-77-2 ]
[ 19933-22-3 ]
[ 1246169-11-8 ]

Yield	Reaction Conditions	Operation in experiment
93%	With hydrogenchloride; sodium nitrite In methanol; water at 0℃; for 6h;

Reference： [1]Isaad, Jalal; Perwuelz, Anne [Tetrahedron Letters, 2010, vol. 51, # 40, p. 5328 - 5332]

20
[ 21508-19-0 ]
[ 1455-77-2 ]
[ 1260489-96-0 ]

Reference： [1]Journal of Coordination Chemistry,2010,vol. 63,p. 3981 - 3998

21
[ 1455-77-2 ]
[ 42205-38-9 ]
[ 1254105-39-9 ]

Reference： [1]Monatshefte fur Chemie,2010,vol. 141,p. 1101 - 1106

22
[ 1455-77-2 ]
[ 98272-33-4 ]
C₈H₁₁N₅O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine for 120h; Reflux;

Reference： [1]Yngve, Ulrika; Paulsen, Kim; MacSari, Istvan; Sundstroem, Marie; Santangelo, Ellen; Linde, Christian; Bogar, Krisztian; Lake, Fredrik; Besidski, Yevgeni; Malmborg, Jonas; Stroemberg, Kia; Appelkvist, Paulina; Radesaeter, Ann-Cathrine; Olsson, Fredrik; Bergstroem, Daniel; Klintenberg, Rebecka; Arvidsson, Per I. [MedChemComm, 2013, vol. 4, # 2, p. 422 - 431]

23
[ 1455-77-2 ]
[ 603-11-2 ]
[ 5970-45-6 ]
[ 144-62-7 ]
[ 7803-57-8 ]
Zn5(OH)2(oxalate)(3-aminophthalhydrazidate)2(3,5-diamino-1,2,4-triazolate)2 [ No CAS ]

Reference： [1]CrystEngComm,2014,vol. 16,p. 2692 - 2701

24
[ 1455-77-2 ]
[ 106131-61-7 ]
[ 1612764-66-5 ]

Yield	Reaction Conditions	Operation in experiment
85%	In N,N-dimethyl-formamide; acetonitrile; at 20℃; for 2.0h;	3,5-Diamino-1,2,4-triazole (2:40 g 24:2 mmol) was dissolved in 50 mL DMF at ambient temperature, and 10 mL (6 mmol) of a 0:6 M solution of dichlorotetrazine in acetonitrile was added via a dropping funnel. The solution was stirred for 2 h at ambient temperature. The product started to precipitate rather quickly. The suspension was heated to 120 C for 16 h. After filtration the product was successively washed with large amounts of DMF, water and acetonitrile to gain 1:40 g (5:07 mmol, 85%) of 8 as a brownish-red powder.- Elemental analysis (C6H8N14, 276.22) exp. (calcd.)in %: C 26.25 (26.09), N 69.99 (70.99), H 2.90 (2.92).- DSC (5 C min1): T dec:: 370 C (onset). - 1H NMR([D6]DMSO, 80 C, ppm): d =7.34 (2H, NH2), 5.66 (2H,NH2). - 13C NMR ([D6]DMSO, 80 C, ppm): d =162.5(1C), 155.5 (1C), 152.6 (1C). - MS ((+)-DEI): m=z=276[M]+ (23), 99 [C2H5N5]+ (100), 124 C2N5H4-CN]+ (21). -Raman: n (cm-1)=1931 (6), 1643 (4), 1622 (9), 1560 (2),1546 (12), 1498 (100), 1420 (15), 1368 (12), 1166 (17), 1058(4), 844 (45), 797 (2), 780 (29), 746 (3), 658 (2), 591 (2), 478(3), 415 (8), 372 (2). - IR (25 C, ATR): n (cm-1)=3416(w), 3383 (w), 3272 (w), 3214 (w), 3131 (w, br), 1620 (s),1554 (m), 1474 (s), 1448 (vs), 1388 (m), 1331 (w), 1151 (m),1134 (m), 1083 (w), 1054 (m), 1028 (m), 956 (m), 828 (m),758 (m), 704 (m), 669 (m), 655 (vw). - Density: r (g cm3):1.75. - Sensitivity data: IS: > 40 J; FS: > 360 N; ESD: > 1 J.

Reference： [1]Zeitschrift fur Naturforschung, B: Chemical Sciences,2013,vol. 68,p. 1310 - 1320
[2]Dalton Transactions,2017,vol. 46,p. 5994 - 6002

25
[ 1455-77-2 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 554-95-0 ]
[Zn₂(1,3,5-benzenetricarboxylic acid)(-3H)(3,5-diamino-1,2,4-triazole)(-H)] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
34%	With sodium hydrogencarbonate In water at 160℃; for 60h; Autoclave;	Synthesis of compound [Zn₂(btc)(datrz)]_n (1) A mixture of Zn(NO3)2·6H2O (0.030 g, 0.1 mmol), H3btc (0.024 g, 0.1 mmol), Hdatrz (0.01 g, 0.10 mmol), NaHCO3 (0.025 g, 0.3 mmol) and H2O (10 mL) was placed in a 23 ml Teflon-lined stainless steel reactor under autogenous pressure at 160 °C for 60 h and then cooled to the room temperature slowly. Colorless prism crystals were obtained in 34% yield based on Zn(NO3)26H2O. Anal. calcd. for C11H7N5O6Zn2 (436.00): C, 30.28; H, 1.61; N, 16.06%. Found: C, 30.31; H, 1.58; N, 16.02%. IR (KBr, cm-1) 3387(s), 3175(m), 1607(s), 1566(s), 1395(s), 1366(m), 1307(w), 1224(m), 1077(s), 853(w), 718(s), 688(m), 647(w).

Reference： [1]Cui, Penglei; Li, Xiaohui [Journal of Molecular Structure, 2015, vol. 1081, p. 182 - 186]

26
[ 1455-77-2 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 89-05-4 ]
[Zn₂(1,3,5-benzenetricarboxylic acid)(-3H)(3,5-diamino-1,2,4-triazole)(-H)] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
34%	With sodium hydrogencarbonate; In water; at 160℃; for 60h;Autoclave;	A mixture of Zn(NO3)2·6H2O (0.030 g, 0.1 mmol), H4btec (0.024 g, 0.1 mmol), Hdatrz (0.01 g, 0.10 mmol), NaHCO3 (0.033 g, 0.4 mmol) and H2O (10 mL) was placed in a 23 ml Teflon-lined stainless steel reactor under autogenous pressure at 160 C for 60 h and then cooled to the room temperature slowly. Colorless prism crystals were obtained in 34% yield based on Zn(NO3)26H2O. Anal. calcd. for C11H7N5O6Zn2 (436.00): C, 30.28; H, 1.61; N, 16.06%. Found: C, 30.31; H, 1.58; N, 16.02%. IR (KBr, cm-1) 3346(s), 3175(m), 2794(w), 1596(s), 1519(w), 1366(s), 1230(m), 1060(w), 947(w), 883(w), 794(w), 729(m), 653(w), 602(w).

Reference： [1]Journal of Molecular Structure,2015,vol. 1081,p. 182 - 186

27
[ 1455-77-2 ]
cobalt(II) nitrate hexahydrate [ No CAS ]
[ 618-88-2 ]
[ 7732-18-5 ]
Co⁽³⁺⁾*C₂H₄N₅^(1-)*C₈H₃NO₆^(2-)*H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50%	With triethylamine at 140℃; for 72h; Autoclave; High pressure;	2.5 Preparation of [Co(datrz)(NO₂-ip)]·H₂O}_n (4) A mixture of Hdatrz (9.9mg, 0.1mmol), NO2-H2ip (21.1mg, 0.1mmol) and Co(NO3)2·6H2O (14.5mg, 0.05mmol) was dissolved in doubly distilled water (15.0mL), and the initial pH of the reactant mixture was adjusted to ca. 6 by slow addition of triethylamine with constant stirring. The resulting mixture was then transferred into a Teflon-lined stainless steel vessel (23.0mL) and heated at 140°C for 72h under autogenous pressure. After the mixture was cooled to room temperature at a rate of 3.2°Ch-1, pink block-shaped crystals suitable for X-ray analysis were obtained directly, washed with water and dried in air (Yield: 50%, based on CoII salt). Anal. Calc. for C20H18Co2N12O14: C, 31.27; H, 2.36; N, 21.88. Found: C, 31.25; H, 2.37; N, 21.86%. IR (KBr pellet, cm-1): 3422 (br), 3336 (w), 3270 (w), 3083 (w), 1620 (s), 1571 (s), 1533 (s), 1366 (s), 1348 (s), 1200 (w), 1102 (w), 1068 (w), 822 (w), 785 (w), 753 (w), 735 (m), 718 (s), 669 (w), 563 (w), 525 (w), 477 (w), 433 (w).

Reference： [1]Zhao, Hong; Li, Hong-Xue; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun [Polyhedron, 2015, vol. 101, p. 29 - 36]

28
[ 1455-77-2 ]
zinc(II) nitrate hexahydrate [ No CAS ]
[ 4371-28-2 ]
[ 68-12-2 ]
[(CH₃)₂NH₂]_2n[Zn₃(bptc)₂(datrz)₂]_n*n(H₂O) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
38%	In methanol; at 90℃; for 72h;	General procedure: A mixture of Zn(NO3)26H2O (0.030 g, 0.1 mmol), H3bpt (0.025 g,0.1 mmol), Hdatrz (0.01 g, 0.1 mmol), DMF (3 mL) and CH3OH(1 mL) was placed in a small vial at 90 C for 72 h and then cooledto room temperature slowly. Colorless block crystals were obtainedin 42% yield based on Zn(NO3)26H2O. Anal. calcd. forC36H29N11O12Zn3 (1004.88): C, 42.99; H, 2.89; N, 15.33%. Found: C,42.89; H, 2.85; N, 15.42%. IR (cm1): 3422(w), 1712(m), 1675(s),1587(m), 1509(m), 1389(m), 1378(m), 1109(w), 1025(w), 958(m),893(m), 826(m), 778(w), 690(w), 674(w), 589(w), 562(w).

Reference： [1]Journal of Molecular Structure,2016,vol. 1105,p. 112 - 117

29
[ 1455-77-2 ]
[ 54605-72-0 ]
N3-((1-phenyl-1H-pyrazol-4-yl)methyl)-1H-1,2,4-triazole-3,5-diamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
48%		A suspension of 1H-1,2,4-triazole-3,5-diamine (1.98 g, 20 mmol) in EtOH (80 mL) was treated with <strong>[54605-72-0]1-phenyl-1H-pyrazole-4-carbaldehyde</strong>-hydrate (3.52 g, 20 mmol) and the resulting mixture heated at reflux for 3 h. The mixture was cooled to rt and NaBH4 (832 mg, 22.0 mmol) was added portion-wise. The reaction mixture reheated to 40 C for 15 minutes. The solvent of the mixture was then evaporated to ~ half volume, the solids filtered, and the collected precipitate was air dried to afford the title compound as a colorless solid (2.45 g, 48%). 1H NMR (400MHz, DMSO-d6) delta = 10.78 (br s, 1H), 8.33 (s, 1H), 7.77 (d, J = 1.2 Hz, 1H), 7.76 - 7.74 (m, 1H), 7.67 (s, 1H), 7.47 (dd, J = 7.6, 8.4 Hz, 2H), 7.31 - 7.24 (m, 1H), 5.82 (br s, 1H), 5.34 (br s, 2H), 4.14 (d, J = 6.3 Hz, 2H); [M+H] = 256.22.

Reference： [1]Patent: WO2016/73424,2016,A1 .Location in patent: Page/Page column 45

30
[ 1455-77-2 ]
cobalt(II) nitrate hexahydrate [ No CAS ]
[ 19089-60-2 ]
[Co3(H2O)4(3,5-diamino-1,2,4-triazole)2(2-sulfoterephthalate)2]·3H2O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	With triethylamine In ethanol; water at 160℃; for 96h; Autoclave;

Reference： [1]Zhang, Chao; Liu, Zhong-Yi; Liu, Ning; Zhao, Hong; Yang, En-Cui; Zhao, Xiao-Jun [Dalton Transactions, 2016, vol. 45, # 29, p. 11864 - 11875]

31
[ 1455-77-2 ]
[ 4371-28-2 ]
[ 5970-45-6 ]
[ 68-12-2 ]
C₂H₇N*2Zn⁽²⁺⁾*C₁₆H₆O₈^(4-)*C₂H₄N₅^(1-)*2H₂O*H⁽¹⁺⁾ [ No CAS ]

Reference： [1]Inorganic Chemistry,2017,vol. 56,p. 5069 - 5075

32
[ 1455-77-2 ]
[ 30169-25-6 ]
N⁵,N^5′-(1,2,4,5-tetrazine-3,6-diyl)bis(1H-1,2,4-triazole-3,5-diamine) [ No CAS ]

Reference： [1]Dalton Transactions,2017,vol. 46,p. 5994 - 6002

33
[ 1455-77-2 ]
[ 30169-25-6 ]
1-(6-((3-amino-1H-1,2,4-triazol-5-yl)amino)-1,2,4,5-tetrazin-3-yl)-1H-1,2,4-triazole-3,5-diamine [ No CAS ]

Reference： [1]Dalton Transactions,2017,vol. 46,p. 5994 - 6002

34
[ 1455-77-2 ]
[ 30169-25-6 ]
1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl)-1H-1,2,4-triazole-3,5-diamine [ No CAS ]

Reference： [1]Dalton Transactions,2017,vol. 46,p. 5994 - 6002

35
[ 1455-77-2 ]
[ 143314-17-4 ]
C₂H₅N₅*C₆H₁₁N₂⁽¹⁺⁾*C₂H₃O₂^(1-) [ No CAS ]

Reference： [1]Chemical Communications,2017,vol. 53,p. 8569 - 8572

36
[ 1455-77-2 ]
[ 122-57-6 ]
[ 72966-19-9 ]

Yield	Reaction Conditions	Operation in experiment
72%	With acetic acid for 6h; regioselective reaction;

Reference： [1]Massari, Serena; Desantis, Jenny; Nannetti, Giulio; Sabatini, Stefano; Tortorella, Sara; Goracci, Laura; Cecchetti, Violetta; Loregian, Arianna; Tabarrini, Oriana [Organic and Biomolecular Chemistry, 2017, vol. 15, # 37, p. 7944 - 7955]

37
[ 1455-77-2 ]
[ 93-91-4 ]
[ 72966-19-9 ]

Yield	Reaction Conditions	Operation in experiment
88%	Stage #1: guanazole; 1-phenylbutan-1,3-dione With acetic acid for 4h; Stage #2: Reflux; regioselective reaction;

38
[ 1455-77-2 ]
[ 495-41-0 ]
[ 72966-19-9 ]
[ 72966-18-8 ]

Yield	Reaction Conditions	Operation in experiment
1: 48 %Spectr. 2: 13 %Spectr.	With triethylamine In N,N-dimethyl-formamide at 110℃; for 24h; regioselective reaction;

39
[ 1455-77-2 ]
cobalt(II) nitrate hexahydrate [ No CAS ]
[ 127-19-5 ]
[ 7732-18-5 ]
[ 157069-48-2 ]
6Co⁽²⁺⁾*2HO^(1-)*9H₂O*3C₉H₆N₃O₂^(1-)*4NO₃^(1-)*5C₄H₉NO*3C₂H₄N₅^(1-) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
48%	With tetrafluoroboric acid In 1,4-dioxane; ethanol at 119.84℃; for 36h; Sealed tube;

Reference： [1]Chen, Di-Ming; Sun, Chun-Xiao; Zhang, Nan-Nan; Si, Huan-Huan; Liu, Chun-Sen; Du, Miao [Inorganic Chemistry, 2018, vol. 57, # 5, p. 2883 - 2889]

40
[ 77287-34-4 ]
[ 51953-18-5 ]
[ 1455-77-2 ]
[ 120-89-8 ]
[ 849585-22-4 ]
[ 73-40-5 ]
[ 328-42-7 ]
[ 2491-15-8 ]
[ 110-15-6 ]
[ 71-30-7 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 113-00-8 ]
[ 127-17-3 ]
[ 66-22-8 ]
[ 56-06-4 ]
[ 66224-66-6 ]
[ 57-13-6 ]
[ 56-40-6 ]
[ 302-72-7 ]
[ 18588-61-9 ]
isocytosine [ No CAS ]

Reference： [1]Chemistry - A European Journal,2018,vol. 24,p. 8126 - 8132

41
[ 77287-34-4 ]
[ 51953-18-5 ]
[ 1455-77-2 ]
[ 120-89-8 ]
[ 73-40-5 ]
[ 328-42-7 ]
[ 2491-15-8 ]
[ 110-15-6 ]
[³H]-hypoxanthine [ No CAS ]
[ 71-30-7 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 113-00-8 ]
[ 127-17-3 ]
[ 66-22-8 ]
[ 66224-66-6 ]
[ 57-13-6 ]
[ 56-40-6 ]
[ 302-72-7 ]
isocytosine [ No CAS ]

Reference： [1]Chemistry - A European Journal,2018,vol. 24,p. 8126 - 8132

42
[ 77287-34-4 ]
[ 23147-58-2 ]
[ 1455-77-2 ]
[ 849585-22-4 ]
[ 328-42-7 ]
[ 110-15-6 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 66-22-8 ]
[ 56-06-4 ]
[ 57-13-6 ]

Reference： [1]Chemistry - A European Journal,2018,vol. 24,p. 8126 - 8132

43
[ 77287-34-4 ]
[ 23147-58-2 ]
[ 1455-77-2 ]
[ 120-89-8 ]
[ 849585-22-4 ]
[ 73-40-5 ]
[ 110-15-6 ]
[ 120-73-0 ]
[ 144-62-7 ]
[ 113-00-8 ]
[ 127-17-3 ]
[ 57-13-6 ]
[ 302-72-7 ]
[ 18588-61-9 ]
isocytosine [ No CAS ]

Reference： [1]Chemistry - A European Journal,2018,vol. 24,p. 8126 - 8132

44
[ 1455-77-2 ]
cobalt(II) nitrate hexahydrate [ No CAS ]
[ 536-20-9 ]
4C₂H₄N₅^(1-)*2C₈H₂NO₆^(3-)*5Co⁽²⁺⁾*10.75H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
53.3%	With triethylamine In methanol; water at 165℃; for 96h; Autoclave;

Reference： [1]Liu, Zhong-Yi; Zhao, Hong; Song, Wei-Chao; Wang, Xiu-Guang; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui [Journal of Materials Chemistry C, 2019, vol. 7, # 2, p. 218 - 222]

45
[ 1455-77-2 ]
[ 5089-70-3 ]
3,5-diamino-1-(3-(triethoxysilyl)propyl)-1,2,4-triazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
88.8%	Stage #1: guanazole With sodium ethanolate In ethanol; N,N-dimethyl-formamide at 20 - 60℃; for 0.333333h; Stage #2: (3-chloropropyl)triethoxysilane In N,N-dimethyl-formamide at 87 - 90℃; for 6h;	2 [Example 2] Synthesis of 3,5-diamino-1-[3-(triethoxydecyl)propyl]-1,2,4-triazole Included at room temperature3,5-diamino-1,2,4-triazole 15.6 g (0.157 mol)And dehydrated N,N-dimethylformamide 100mLAdd 53.5 g (0.157 mol) of 20% sodium ethoxide ethanol solution to the suspension.After heating to 55~60 ° C and stirring for 20 minutes,37.9 g (0.157 mol) of 3-chloropropyltriethoxydecane was added.Stir at 87~90 ° C for 6 hours.After cooling the suspension reaction solution to 3 ° C,Filter out insoluble matter,And the solvent of the filtrate is distilled off under reduced pressure,Obtained 42.3 g of brown viscous material (0.139 mol,Yield 88.8%).

Reference： [1]Current Patent Assignee: SHIKOKU CHEMICALS CORPORATION - TW2018/41929, 2018, A Location in patent: Paragraph 0108; 0109; 0110

46
[ 1455-77-2 ]
zinc(II) acetate tetrahydrate [ No CAS ]
[ 4371-28-2 ]
[ 7732-18-5 ]
[ 6147-53-1 ]
[ 68-12-2 ]
[ZnCo([1,1′-biphenyl]-3,3′,5,5′-tetracarboxylate)(1H-1,2,4-triazole-3,5-diamine)](CH3)2NH2·6.5H2O [ No CAS ]

Reference： [1]Dalton Transactions,2019,vol. 48,p. 7100 - 7104

47
[ 1455-77-2 ]
cobalt(II) chloride hexahydrate [ No CAS ]
[ 4371-28-2 ]
[ 7732-18-5 ]
[ 68-12-2 ]
[Co2([1,1′-biphenyl]-3,3′,5,5′-tetracarboxylate)(1H-1,2,4-triazole-3,5-diamine)](CH3)2NH2·3H2O [ No CAS ]

Reference： [1]Dalton Transactions,2019,vol. 48,p. 7100 - 7104

48
[ 700-44-7 ]
[ 1455-77-2 ]
2-{(E)-[(5-amino-1H-1,2,4-triazol-3-yl)imino]methyl}-3-methoxyphenol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
99%	In methanol for 0.0833333h; Sonication;	Representative sonochemical procedure for synthesis of triazole basedSchiff bases General procedure: An equimolar mixture of amino-1,2,4-triazoles (1 mmol) and respective aldehydes (1 mmol)in methanol (4 mL) was subjected to ultra sound for ~5 minutes. The product started to precipitatewithin 3-4 minutes of sonochemical procedure. The completion of reaction was monitoredby TLC. The solid product thus obtained was centrifuges and isolated by decantation ofmother liquor. The isolated products were recrystallized with hot ethanol.

Reference： [1]Sultan, Aeysha; Ur Rehman, Mian Habib; Sajjad, Noreen; Irfan, Ali; Ullah, Irfan; Mustaqeem, Muhammad; Saleem, Muhammad; Rubab, Syeda Laila; Rafiq, Muhammad; Khalid, Muhammad; Kotwica-Mojzych, Katarzyna; Mojzych, Mariusz [PLoS ONE, 2020, vol. 15, # 6]

49
[ 1455-77-2 ]
[ 350024-36-1 ]
[ 7732-18-5 ]
zinc(II) cation [ No CAS ]
[Zn₃(N,N'-bis(5-isophthalato)naphthalenediimide)(3,5-diamino-1,2,4-triazole)₂(H₂O)₂]_n [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	at 120℃;

Reference： [1]Das, Rajesh; Ezhil, Thirumavalavan; Nagaraja, C. M. [Crystal Growth and Design, 2022, vol. 22, # 1, p. 598 - 607]

50
[ 1455-77-2 ]
[ 105618-29-9 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
80.5 %	In N,N-dimethyl-formamide Inert atmosphere; Reflux;	8-13 Example 8 General procedure: Add 45 mL of anhydrous DMF to a 100 ml three-mouth flask and purge with nitrogen for 15 min while adding hexaazabenzophene hexacarboxylic acid trianhydride (0.444 g, 1 mmol) and 3,5-diamino-1,2,4-triazole (0.396 g, 4 mmol). In the whole process, under the protection of nitrogen, continuous stirring and heating reflux for 24 hours, then the heating device was removed to cool to room temperature, the solid product was precipitated through an ice water bath, the solids were collected by filtration, the filter cake was washed three times with ethanol, and vacuum dried to obtain compound B: tris(3-amino-1,2,4-triazolyl)hexaazabenzophenanthrene hexaformylimide with a yield of 75.2%.

Reference： [1]Current Patent Assignee: UNIV CHANGZHOU - CN116253738, 2023, A Location in patent: Paragraph 0010; 0086-0103

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P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 1455-77-2 ] {[proInfo.proName]}

Quality Control of [ 1455-77-2 ]

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[ 1455-77-2 ] Synthesis Path-Upstream 1~16

[ 1455-77-2 ] Synthesis Path-Downstream 1~50

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[ 1455-77-2 ]

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