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1125410-08-3

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Basic Information
CAS No.: 1125410-08-3
Name: 6-Bromo-2-chloronicotinaldehyde
Molecular Structure:
Molecular Structure of 1125410-08-3 (6-Bromo-2-chloronicotinaldehyde)
Formula: C6H3BrClNO
Molecular Weight: 220.453
Synonyms: 3-Pyridinecarboxaldehyde, 6-bromo-2-chloro-;
Density: 1.8 g/cm3
Boiling Point: 310 °C at 760 mmHg
Flash Point: 141.3 °C
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 29.96000
LogP: 2.31000
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Specification

The CAS registry number of 6-Bromo-2-chloronicotinaldehyde is 1125410-08-3. This chemical is also named as 3-Pyridinecarboxaldehyde, 6-bromo-2-chloro-. In addition, its molecular formula is C6H3BrClNO and molecular weight is 220.4511.

Physical properties about this chemical are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.632; (9)Molar Refractivity: 43.68 cm3; (10)Molar Volume: 122.4 cm3; (11)Surface Tension: 54.5 dyne/cm; (12)Density: 1.8 g/cm3; (13)Flash Point: 141.3 °C; (14)Enthalpy of Vaporization: 55.08 kJ/mol; (15)Boiling Point: 310 °C at 760 mmHg; (16)Vapour Pressure: 0.000616 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc(c1C=O)Cl)Br
(2)InChI: InChI=1/C6H3BrClNO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H
(3)InChIKey: SVKNHWDBCZRAOC-UHFFFAOYAS