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Cas Database |
| Name |
4-Bromo-1,5-naphthyridine |
EINECS | N/A |
| CAS No. | 90001-34-6 | Density | 1.656g/cm3 |
| PSA | 25.78000 | LogP | 2.39230 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H5BrN2 | Boiling Point | 311 ºC |
| Molecular Weight | 209.04 | Flash Point | 142 ºC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Bromo-1,5-naphthyridine;1,5-naphthyridine, 4-bromo-; |
Article Data | 3 |
4-Bromo-1,5-naphthyridine Specification
The 4-Bromo-1,5-naphthyridine with cas registry number of 90001-34-6, its systematic name is 4-bromo-1,5-naphthyridine. And it is also named 1,5-naphthyridine, 4-bromo-.
Physical properties about this chemical are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.7; (6)ACD/BCF (pH 7.4): 2.7; (7)ACD/KOC (pH 5.5): 70.91; (8)ACD/KOC (pH 7.4): 70.93; (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: 1.685; (14)Molar Refractivity: 47.96 cm3; (15)Molar Volume: 126.1 cm3; (16)Polarizability: 19.01×10-24cm3; (17)Surface Tension: 59.1 dyne/cm; (18)Enthalpy of Vaporization: 52.99 kJ/mol; (19)Vapour Pressure: 0.00106 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Brc1ccnc2cccnc12;
(2)InChI:InChI=1/C8H5BrN2/c9-6-3-5-10-7-2-1-4-11-8(6)7/h1-5H;
(3)InChIKey:RUZMWDKSPLIZSY-UHFFFAOYAL;
(4)Std. InChI:InChI=1S/C8H5BrN2/c9-6-3-5-10-7-2-1-4-11-8(6)7/h1-5H;
(5)Std. InChIKey:RUZMWDKSPLIZSY-UHFFFAOYSA-N.
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