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Name |
3-Chloro-6-phenylpyridazine |
EINECS | 243-772-6 |
CAS No. | 20375-65-9 | Density | 1.245 g/cm3 |
PSA | 25.78000 | LogP | 2.79700 |
Solubility | N/A | Melting Point |
159-161 °C(lit.) |
Formula | C10H7ClN2 | Boiling Point | 375 °C at 760 mmHg |
Molecular Weight | 190.632 | Flash Point | 212.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Phenyl-6-chloropyridazine;6-Chloro-3-phenylpyridazine;6-Phenyl-3-chloropyridazine;NSC 28739; |
Article Data | 30 |
The CAS register number of Pyridazine,3-chloro-6-phenyl- is 20375-65-9. It also can be called as 6-Chloro-3-phenylpyridazine and the IUPAC name about this chemical is 3-chloro-6-phenylpyridazine. The molecular formula about this chemical is C10H7ClN2 and the molecular weight is 190.63. It belongs to the following product categories which include Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridazines; PyridazinesHeterocyclic Building Blocks and so on.
Physical properties about Pyridazine,3-chloro-6-phenyl- are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): 1.83; (3)ACD/LogD (pH 7.4): 1.83; (4)ACD/BCF (pH 5.5): 14.54; (5)ACD/BCF (pH 7.4): 14.54; (6)ACD/KOC (pH 5.5): 236.53; (7)ACD/KOC (pH 7.4): 236.53; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 25.78Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 51.92 cm3; (13)Molar Volume: 153.1 cm3; (14)Polarizability: 20.58x10-24cm3; (15)Surface Tension: 48.8 dyne/cm; (16)Enthalpy of Vaporization: 59.81 kJ/mol; (17)Boiling Point: 375 °C at 760 mmHg; (18)Vapour Pressure: 1.73E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by phenylboronic acid and 3-Chloro-6-iodopyridazine. This reaction is a kind of Substitution. This reaction will need reagent Pd(PPh3)2Cl2, aq. Na2CO3 and solvent 1,2-dimethoxy-ethane. The reaction time is 12 hour(s) with reaction temperature of 100 °C. The yield is about 85%.
Uses of Pyridazine,3-chloro-6-phenyl: it can be used to produce 6-phenyl-2-H-pyridazine-3-thione at heating. This reaction will need reagent thiourea and solvent ethanol with reaction time of 30 min. The yield is about 82%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of 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: Clc2nnc(c1ccccc1)cc2
(2)InChI: InChI=1/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H
(3)InChIKey: BUBRFWDEAVIFMV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H
(5)Std. InChIKey: BUBRFWDEAVIFMV-UHFFFAOYSA-N