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CAS No.: | 59514-89-5 |
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Name: | 2,4-Dichloro-1,8-naphthyridine |
Molecular Structure: | |
Formula: | C8H4Cl2N2 |
Molecular Weight: | 199.039 |
Synonyms: | 1,8-Naphthyridine, 2,4-dichloro-;MFCD00234380;AG-G-12133; |
Density: | 1.486 g/cm3 |
Melting Point: | 123.0 to 127.0 °C |
Boiling Point: | 299.1 °C at 760 mmHg |
Flash Point: | 163 °C |
PSA: | 25.78000 |
LogP: | 2.93660 |
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The 2,4-Dichloro-1,8-naphthyridine with CAS registry number of 59514-89-5 is also known as 1,8-Naphthyridine, 2,4-dichloro-. The IUPAC name and product name are tha same. In addition, the formula is C8H4Cl2N2 and the molecular weight is 199.04.
Physical properties about 2,4-Dichloro-1,8-naphthyridine are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 57.08; (6)ACD/BCF (pH 7.4): 57.08; (7)ACD/KOC (pH 5.5): 629.33; (8)ACD/KOC (pH 7.4): 629.34; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.67; (11)Molar Refractivity: 50.06 cm3; (12)Molar Volume: 133.8 cm3; (13)Surface Tension: 59 dyne/cm; (14)Density: 1.486 g/cm3; (15)Flash Point: 163 °C; (16)Enthalpy of Vaporization: 51.76 kJ/mol; (17)Boiling Point: 299.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00216 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Clc2cc(Cl)nc1ncccc12
2. InChI: InChI=1/C8H4Cl2N2/c9-6-4-7(10)12-8-5(6)2-1-3-11-8/h1-4H
3. InChIKey: CCQHBZIXZFQYSO-UHFFFAOYAH
4. Std. InChI: InChI=1S/C8H4Cl2N2/c9-6-4-7(10)12-8-5(6)2-1-3-11-8/h1-4H
5. Std. InChIKey: CCQHBZIXZFQYSO-UHFFFAOYSA-N