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CAS No.: | 63071-13-6 |
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Name: | 4-CHLOROPICOLINALDEHYDE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C6H4ClNO |
Molecular Weight: | 141.557 |
Synonyms: | Picolinaldehyde,4-chloro- (6CI);4-Chloropyridine-2-carboxaldehyde; |
Density: | 1.332 g/cm3 |
Melting Point: | 32-34 °C |
Boiling Point: | 206.2 °C at 760 mmHg |
Flash Point: | 78.5 °C |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 29.96000 |
LogP: | 1.54750 |
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The 4-Chloro-2-pyridinecarbaldehyde, with the CAS registry number 63071-13-6, is also known as 4-Chloropicolinaldehyde. It belongs to the product category of Pyridines. This chemical's molecular formula is C6H4ClNO and molecular weight is 141.56. Its systematic name is called 4-chloropyridine-2-carbaldehyde.
Physical properties of 4-Chloro-2-pyridinecarbaldehyde: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.86; (6)ACD/BCF (pH 7.4): 2.87; (7)ACD/KOC (pH 5.5): 73.8; (8)ACD/KOC (pH 7.4): 73.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 35.99 cm3; (14)Molar Volume: 106.2 cm3; (15)Surface Tension: 49.8 dyne/cm; (16)Density: 1.332 g/cm3; (17)Flash Point: 78.5 °C; (18)Enthalpy of Vaporization: 44.25 kJ/mol; (19)Boiling Point: 206.2 °C at 760 mmHg; (20)Vapour Pressure: 0.24 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccnc(C=O)c1
(2)InChI: InChI=1/C6H4ClNO/c7-5-1-2-8-6(3-5)4-9/h1-4H
(3)InChIKey: NZLNQSUMFSPISS-UHFFFAOYAB