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| CAS No.: | 7689-63-6 |
|---|---|
| Name: | 4-chloro-1,5-naphthyridine |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C8H5ClN2 |
| Molecular Weight: | 164.594 |
| Synonyms: | 4-Chlor-1,5-naphthyridin;1,5-Naphthyridine, 4-chloro-; |
| Density: | 1.35 g/cm3 |
| Melting Point: | 102-103℃ |
| Boiling Point: | 269.178 °C at 760 mmHg |
| Flash Point: | 142.546 °C |
| PSA: | 25.78000 |
| LogP: | 2.28320 |
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- Total:23 Page 1 of 1 1
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Specification
The 4-chloro-1,5-naphthyridine, with the CAS registry number 7689-63-6, is also called 1,5-Naphthyridine, 4-chloro-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H5ClN2.
The characteristics of 4-chloro-1,5-naphthyridine are as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.362; (4)ACD/LogD (pH 7.4): 2.362; (5)ACD/BCF (pH 5.5): 36.744; (6)ACD/BCF (pH 7.4): 36.747; (7)ACD/KOC (pH 5.5): 459.16; (8)ACD/KOC (pH 7.4): 459.201; (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: 1.663; (14)Molar Refractivity: 45.173 cm3; (15)Molar Volume: 121.948 cm3; (16)Polarizability: 17.908×10-24cm3; (17)Surface Tension: 57.134 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 142.546 °C; (20)Enthalpy of Vaporization: 48.686 kJ/mol; (21)Boiling Point: 269.178 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc2c(c(ccn2)Cl)nc1
(2)InChI: InChI=1/C8H5ClN2/c9-6-3-5-10-7-2-1-4-11-8(6)7/h1-5H
(3)InChIKey: JECKUINVSSXFNR-UHFFFAOYAI