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| Name |
1,2,4-Triazin-3(2H)-one,4,5-dihydro-5-methyl-6-[4-(4-oxo-1(4H)-pyridinyl)phenyl]- |
EINECS | 1592732-453-0 |
| CAS No. | 113118-31-3 | Density | 1.683 g/cm3 |
| PSA | 29.96000 | LogP | 1.65660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H4BrNO | Boiling Point | 251.1 °C at 760 mmHg |
| Molecular Weight | 186.01 | Flash Point | 105.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:; |
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| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
CHEMBRDG-BB 4011095;AURORA KA-3030;3-BROMOPYRIDINE-5-CARBALDEHYDE;3-BROMOPYRIDINE-5-CARBOXALDEHYDE;5-BROMO-PYRIDINE-3-CARBALDEHYDE;5-BROMO-3-FORMYLPYRIDINE;5-broMopyridin-3-carbaldehyde;5-broMo-3-forhylpyridine |
1,2,4-Triazin-3(2H)-one,4,5-dihydro-5-methyl-6-[4-(4-oxo-1(4H)-pyridinyl)phenyl]- Specification
The 1,2,4-Triazin-3(2H)-one,4,5-dihydro-5-methyl-6-[4-(4-oxo-1(4H)-pyridinyl)phenyl]- is an organic compound with the formula C6H4BrNO. The IUPAC name of this chemical is 5-bromopyridine-3-carbaldehyde. With the CAS registry number 113118-31-3, it is also named as 3-Pyridinecarboxaldehyde, 5-bromo-. The product's categories are Heterocycles; Pyridine.
Physical properties about 1,2,4-Triazin-3(2H)-one,4,5-dihydro-5-methyl-6-[4-(4-oxo-1(4H)-pyridinyl)phenyl]- are: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.27; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 5.48; (5)ACD/BCF (pH 7.4): 5.48; (6)ACD/KOC (pH 5.5): 117.57; (7)ACD/KOC (pH 7.4): 117.57; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 Å2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 38.78 cm3; (13)Molar Volume: 110.5 cm3; (14)Polarizability: 15.37×10-24cm3; (15)Surface Tension: 52.1 dyne/cm; (16)Density: 1.683 g/cm3; (17)Flash Point: 105.7 °C; (18)Enthalpy of Vaporization: 48.84 kJ/mol; (19)Boiling Point: 251.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0209 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cncc(Br)c1
(2)InChI: InChI=1/C6H4BrNO/c7-6-1-5(4-9)2-8-3-6/h1-4H
(3)InChIKey: NGUVGKAEOFPLDT-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H4BrNO/c7-6-1-5(4-9)2-8-3-6/h1-4H
(5)Std. InChIKey: NGUVGKAEOFPLDT-UHFFFAOYSA-N
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