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| CAS No.: | 1722-10-7 |
|---|---|
| Name: | 3-CHLORO-6-METHOXYPYRIDAZINE |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C5H5ClN2O |
| Molecular Weight: | 144.56 |
| Synonyms: | 3-Methoxy-6-chloropyridazine;NSC 522667;NSC 69819;3-Chloro-6-methoxypyrazine; |
| EINECS: | 217-019-7 |
| Density: | 1.293 g/cm3 |
| Melting Point: | 84-85 °C(lit.) |
| Boiling Point: | 284.892 °C at 760 mmHg |
| Flash Point: | 126.099 °C |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 35.01000 |
| LogP: | 1.13860 |
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Specification
The Pyridazine,3-chloro-6-methoxy- is an organic compound with the formula C5H5ClN2O. The IUPAC name of this chemical is 3-chloro-6-methoxypyridazine and the CAS registry number is 1722-10-7. The product's categories are Pyridines, Pyrimidines, Purines and Pteredines; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridazines. It is white powder which is stable under normal temperature and presuure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place which must be away from oxidant.
The other characteristics of this product can be summarized as: (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): 3.7; (6)ACD/BCF (pH 7.4): 3.7; (7)ACD/KOC (pH 5.5): 88.83; (8)ACD/KOC (pH 7.4): 88.83; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 34 cm3; (15)Molar Volume: 111.8 cm3; (16)Polarizability: 13.48×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 126.1 °C; (20)Enthalpy of Vaporization: 50.29 kJ/mol; (21)Boiling Point: 284.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00498 mmHg at 25°C.
Preparation of Pyridazine,3-chloro-6-methoxy-: It can be obtained by 3-chloro-6-hydrazino-pyridazine and methanol. This reaction needs reagent thallium(III) nitrate trihydrate at ambient temperature. The reaction time is 10 min. The yield is about 68%.
Uses of Pyridazine,3-chloro-6-methoxy-: It can react with ethynylbenzene to get 3-methoxy-6-phenylethynyl-pyridazine. This reaction needs reagent diethylamine and catalytic agent Pd(PPh3)2Cl2-CuI at temperature of 70 °C. The reaction time is 24 hours. The yield is 49%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: Clc1nnc(OC)cc1
2. InChI: InChI=1/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3
3. InChIKey: XBJLKXOOHLLTPG-UHFFFAOYAZ