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| CAS No.: | 89283-31-8 |
|---|---|
| Name: | 3-Chloro-5-methylpyridazine |
| Molecular Structure: | |
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| Formula: | C5H5ClN2 |
| Molecular Weight: | 128.561 |
| Synonyms: | 3-Chloro-5-methylpyridazine;Pyridazine, 3-chloro-5-methyl-; |
| Density: | 1.235 g/cm3 |
| Melting Point: | 139-140 °C |
| Boiling Point: | 259.74 °C at 760 mmHg |
| Flash Point: | 135.998 °C |
| Hazard Symbols: | Xi,Xn |
| Risk Codes: | 22 |
| PSA: | 25.78000 |
| LogP: | 1.43840 |
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Specification
The 3-Chloro-5-methylpyridazine, with the CAS registry number 89283-31-8, has the systematic name of 3-chloro-5-methylpyridazine. The molecular formula of the chemical is C5H5ClN2. And it belongs to the following product categories: Halides; Pyrazines, Pyrimidines & Pyridazines; Pyridazine series; Building Blocks; Pyridazine; Pyrazines, Pyrimidines & Pyridazines. What's more, it should be stored in a dry and cold environment.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 48; (8)ACD/KOC (pH 7.4): 48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 32.155 cm3; (15)Molar Volume: 104.107 cm3; (16)Polarizability: 12.747×10-24cm3; (17)Surface Tension: 44.63 dyne/cm; (18)Density: 1.235 g/cm3; (19)Flash Point: 135.998 °C; (20)Enthalpy of Vaporization: 47.732 kJ/mol; (21)Boiling Point: 259.74 °C at 760 mmHg; (22)Vapour Pressure: 0.021 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(C)cnn1
(2)InChI: InChI=1/C5H5ClN2/c1-4-2-5(6)8-7-3-4/h2-3H,1H3
(3)InChIKey: GXBWRBSCBONTKK-UHFFFAOYAY