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CAS No.: | 135034-10-5 |
---|---|
Name: | 3-Chloro-6-iodopyridazine |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C4H2ClIN2 |
Molecular Weight: | 240.431 |
Synonyms: | 6-chloro-3-iodopyridazine;3-chloro-6-iodo-pyridazine;chloroiodopyridazine;PYRIDAZINE,3-CHLORO-6-IODO; |
Density: | 2.188g/cm3 |
Melting Point: | 118-120ºC |
Boiling Point: | 327.705 °C at 760 mmHg |
Flash Point: | 151.991 °C |
Solubility: | Slightly soluble in water. |
PSA: | 25.78000 |
LogP: | 1.73460 |
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This chemical is called 3-Chloro-6-iodopyridazine, and it can also be named as Pyridazine, 3-chloro-6-iodo-. With the molecular formula of C4H2ClIN2, its molecular weight is 240.43. The CAS registry number of this chemical is 135034-10-5, and its product categories are Halides; Pyrazines, Pyrimidines & Pyridazines; Pyrazines, Pyrimidines & Pyridazines; Heterocyclic Building Blocks.
Other characteristics of the 3-Chloro-6-iodopyridazine can be summarised as followings: (1)ACD/LogP: 1.24; (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): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 113; (8)ACD/KOC (pH 7.4): 113; (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: 1.653; (14)Molar Refractivity: 40.237 cm3; (15)Molar Volume: 109.905 cm3; (16)Polarizability: 15.951×10-24cm3; (17)Surface Tension: 60.92 dyne/cm; (18)Density: 2.188 g/cm3; (19)Flash Point: 151.991 °C; (20)Enthalpy of Vaporization: 54.739 kJ/mol; (21)Boiling Point: 327.705 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nnc1Cl)I
(2)InChI: InChI=1/C4H2ClIN2/c5-3-1-2-4(6)8-7-3/h1-2H
(3)InChIKey: PNEPCDPKMXJYIQ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C4H2ClIN2/c5-3-1-2-4(6)8-7-3/h1-2H
(5)Std. InChIKey: PNEPCDPKMXJYIQ-UHFFFAOYSA-N