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| CAS No.: | 55243-02-2 |
|---|---|
| Name: | 2,7-Dichloro-1,8-naphthyridine |
| Molecular Structure: | |
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| Formula: | C8H4Cl2N2 |
| Molecular Weight: | 199.039 |
| Synonyms: | 2,7-Dichloro-1,8-napthyridine;1,8-naphthyridine, 2,7-dichloro-; |
| Density: | 1.487 g/cm3 |
| Melting Point: | 258 °C |
| Boiling Point: | 312.193 °C at 760 mmHg |
| Flash Point: | 171.691 °C |
| PSA: | 25.78000 |
| LogP: | 2.93660 |
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Specification
The 2,7-Dichloro-1,8-naphthyridine, with the CAS registry number 55243-02-2, is also called 1,8-naphthyridine, 2,7-dichloro-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H4Cl2N2.
The characteristics of 2,7-Dichloro-1,8-naphthyridine are as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.994; (4)ACD/LogD (pH 7.4): 0.994; (5)ACD/BCF (pH 5.5): 3.353; (6)ACD/BCF (pH 7.4): 3.353; (7)ACD/KOC (pH 5.5): 82.742; (8)ACD/KOC (pH 7.4): 82.742; (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: 1.671; (14)Molar Refractivity: 50.068 cm3; (15)Molar Volume: 133.898 cm3; (16)Polarizability: 19.849×10-24cm3; (17)Surface Tension: 59.027 dyne/cm; (18)Density: 1.487 g/cm3; (19)Flash Point: 171.691 °C; (20)Enthalpy of Vaporization: 53.111 kJ/mol; (21)Boiling Point: 312.193 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(nc2c1ccc(n2)Cl)Cl
(2)InChI: InChI=1/C8H4Cl2N2/c9-6-3-1-5-2-4-7(10)12-8(5)11-6/h1-4H
(3)InChIKey: BCTQOZWTYDPEPM-UHFFFAOYAK