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| CAS No.: | 5469-69-2 |
|---|---|
| Name: | 6-Chloropyridazin-3-amine |
| Molecular Structure: | |
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| Formula: | C4H4ClN3 |
| Molecular Weight: | 129.549 |
| Synonyms: | 6-Amino-3-chloropyridazine;Pyridazine, 3-amino-6-chloro-;6-Chloro-3-pyridazinamine;3-Amino-6-chloropyridazine;3-Pyridazinamine, 6-chloro-;Pyridazine, 3-amino-6-chloro- (8CI);3-Amino-6-chloropyrazine;6-chloro-3-aminopyridazine; |
| EINECS: | 226-796-1 |
| Density: | 1.438 g/cm3 |
| Melting Point: | 210 °C |
| Boiling Point: | 363.153 °C at 760 mmHg |
| Flash Point: | 173.429 °C |
| Appearance: | Brown Solid |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 22-26-36/37/39 |
| PSA: | 51.80000 |
| LogP: | 1.29340 |
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Specification
The 6-Chloropyridazin-3-amine, with its CAS registry number 5469-69-2, is a kind of white powder. And its product categories are including blocks; Heterocycles; Amines and Anilines; Pyridazine series; Amines; Pyrazines, Pyrimidines & Pyridazines; API intermediates; Chemical Amines; Pyrazines, Pyrimidines & Pyridazines; pyridazine; Building Blocks.
The physical properties of this chemical are as below: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.406; (5)ACD/BCF (pH 5.5): 1.156; (6)ACD/BCF (pH 7.4): 1.197; (7)ACD/KOC (pH 5.5): 38.213; (8)ACD/KOC (pH 7.4): 39.59; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 31.567 cm3; (15)Molar Volume: 90.112 cm3; (16)Polarizability: 12.514×10-24 cm3; (17)Surface Tension: 66.442 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 173.429 °C; (20)Enthalpy of Vaporization: 60.918 kJ/mol; (21)Boiling Point: 363.153 °C at 760 mmHg; (22)Exact Mass: 129.009375; (23)MonoIsotopic Mass: 129.009375; (24)Topological Polar Surface Area: 51.8; (25)Heavy Atom Count: 8; (26)Complexity: 77.7.
Use of this chemical: 6-Chloropyridazin-3-amine could react with methanol; sodium salt to produce 6-methoxy-pyridazin-3-ylamine. This reaction could happen in the presence of the reagent of methanol.
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Production method of this chemical: 3,6-dichloro-pyridazine could react to produce 6-Chloropyridazin-3-amine. This reaction could happen in the presence of the reagent of ammonium hydroxide with its yield of 71%.
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When you are dealing with this chemical, you should be cautious. For one thing, it is irritating to eyes, respiratory system and skin and then may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. And it will be dangerous if by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable gloves and eye/face protection and avoid contacting with skin and eyes. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=NN=C1N)Cl
(2)InChI: InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
(3)InChIKey: DTXVKPOKPFWSFF-UHFFFAOYSA-N