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| CAS No.: | 69042-30-4 |
|---|---|
| Name: | 2,7-NAPHTHYRIDINE, 1-CHLORO- |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C8H5ClN2 |
| Molecular Weight: | 164.594 |
| Synonyms: | Copyrine,1-chloro- (6CI);1-Chloro-2,7-naphthyridine; |
| Density: | 1.349 g/cm3 |
| Boiling Point: | 326.4 °C at 760 mmHg |
| Flash Point: | 181.1 °C |
| PSA: | 25.78000 |
| LogP: | 2.28320 |
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Specification
The 1-Chloro-2,7-naphthyridine, with the CAS registry number 69042-30-4, is also known as 2,7-Naphthyridine, 1-chloro-. It belongs to the product category of Non-Chiral heterocyclic compounds. This chemical's molecular formula is C8H5ClN2 and molecular weight is 164.59. Its systematic name is called 1-chloro-2,7-naphthyridine.
Physical properties of 1-Chloro-2,7-naphthyridine: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.29; (6)ACD/BCF (pH 7.4): 4.3; (7)ACD/KOC (pH 5.5): 98.71; (8)ACD/KOC (pH 7.4): 98.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.662; (13)Molar Refractivity: 45.17 cm3; (14)Molar Volume: 121.9 cm3; (15)Surface Tension: 57.1 dyne/cm; (16)Density: 1.349 g/cm3; (17)Flash Point: 181.1 °C; (18)Enthalpy of Vaporization: 54.6 kJ/mol; (19)Boiling Point: 326.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000412 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nccc1ccncc12
(2)InChI: InChI=1/C8H5ClN2/c9-8-7-5-10-3-1-6(7)2-4-11-8/h1-5H
(3)InChIKey: UIQLQYQMGHYABX-UHFFFAOYAB