Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromo-2-chloronicotinaldehyde |
EINECS | N/A |
CAS No. | 228251-24-9 | Density | 1.8 g/cm3 |
PSA | 29.96000 | LogP | 2.31000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H3BrClNO | Boiling Point | 278.003 °C at 760 mmHg |
Molecular Weight | 220.453 | Flash Point | 121.932 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Bromo-2-chloro-pyridine-3-carbaldehyde; |
Article Data | 10 |
The 3-Pyridinecarboxaldehyde,5-bromo-2-chloro-, with CAS registry number 228251-24-9, has the systematic name of 5-bromo-2-chloropyridine-3-carbaldehyde. Besides this, it is also called 5-bromo-2-chloronicotinaldehyde (en). And the chemical formula of this chemical is C6H3BrClNO.
Physical properties of 3-Pyridinecarboxaldehyde,5-bromo-2-chloro-: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.2; (6)ACD/BCF (pH 7.4): 39.2; (7)ACD/KOC (pH 5.5): 480.93; (8)ACD/KOC (pH 7.4): 480.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 43.68 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 17.31×10-24cm3; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.8 g/cm3; (19)Flash Point: 121.9 °C; (20)Enthalpy of Vaporization: 51.66 kJ/mol; (21)Boiling Point: 278 °C at 760 mmHg; (22)Vapour Pressure: 0.00437 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(Br)cnc1Cl
(2)InChI: InChI=1/C6H3BrClNO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
(3)InChIKey: YGPYNLZCNDPHTQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H3BrClNO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
(5)Std. InChIKey: YGPYNLZCNDPHTQ-UHFFFAOYSA-N