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CAS No.: | 921630-14-0 |
---|---|
Name: | 2-Bromo-5-chloropyridine-4-carboxaldehyde |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H3BrClNO |
Molecular Weight: | 220.453 |
Synonyms: | 2-Bromo-5-chloropyridine-4-carboxaldehyde; |
Density: | 1.8 g/cm3 |
Boiling Point: | 281.936 °C at 760 mmHg |
Flash Point: | 124.311 °C |
PSA: | 29.96000 |
LogP: | 2.31000 |
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This chemical is called 4-Pyridinecarboxaldehyde, 2-bromo-5-chloro-, and its systematic name is 2-bromo-5-chloro-pyridine-4-carbaldehyde. With the molecular formula of C6H3BrClNO, its molecular weight is 220.45. The CAS registry number of this chemical is 921630-14-0.
Other characteristics of the 4-Pyridinecarboxaldehyde, 2-bromo-5-chloro- can be summarised as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.476; (4)ACD/LogD (pH 7.4): 2.476; (5)ACD/BCF (pH 5.5): 44.816; (6)ACD/BCF (pH 7.4): 44.816; (7)ACD/KOC (pH 5.5): 529.309; (8)ACD/KOC (pH 7.4): 529.309; (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: 43.682 cm3; (15)Molar Volume: 122.459 cm3; (16)Polarizability: 17.317×10-24cm3; (17)Surface Tension: 54.576 dyne/cm; (18)Density: 1.8 g/cm3; (19)Flash Point: 124.311 °C; (20)Enthalpy of Vaporization: 52.077 kJ/mol; (21)Boiling Point: 281.936 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(c(cnc1Br)Cl)C=O
2.InChI: InChI=1/C6H3BrClNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H
3.InChIKey: OBHVMEJUYJSWKS-UHFFFAOYAS