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CAS No.: | 14490-19-8 |
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Name: | 1,4-Dichloropyrido[4,3-d]pyridazine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H3Cl2N3 |
Molecular Weight: | 200.027 |
Synonyms: | 1,4-Dichloropyrido[3,4-d]pyridazine; |
EINECS: | 200-001-2 |
Density: | 1.573 g/cm3 |
Melting Point: | 159 °C |
Boiling Point: | 440.774 °C at 760 mmHg |
Flash Point: | 252.94 °C |
PSA: | 38.67000 |
LogP: | 2.33160 |
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The 1,4-Dichloropyrido[4,3-d]pyridazine with the CAS number 14490-19-8 is also called Pyrido[3,4-d]pyridazine,1,4-dichloro-. Its molecular formula is C7H3Cl2N3. The product category is Chiral Chemicals. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 1,4-Dichloropyrido[4,3-d]pyridazine are: (1)ACD/LogP: 0.68; (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): 53; (8)ACD/KOC (pH 7.4): 53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 48.159 cm3; (15)Molar Volume: 127.122 cm3; (16)Polarizability: 19.092×10-24cm3; (17)Surface Tension: 68.18 dyne/cm; (18)Enthalpy of Vaporization: 67.106 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nnc(Cl)c1ccncc12
(2)InChI: InChI=1/C7H3Cl2N3/c8-6-4-1-2-10-3-5(4)7(9)12-11-6/h1-3H
(3)InChIKey: LMVNXZZDBBSCSG-UHFFFAOYAQ