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Name |
3-Pyridinecarboxaldehyde, 2-amino-5-chloro- |
EINECS | N/A |
CAS No. | 54856-61-0 | Density | 1.442 g/cm3 |
PSA | 55.98000 | LogP | 1.71090 |
Solubility | N/A | Melting Point |
169-171° |
Formula | C6H5ClN2O | Boiling Point | 301.877 °C at 760 mmHg |
Molecular Weight | 156.572 | Flash Point | 136.371 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-5-chloropyridine-3-carbaldehyde;2-Amino-5-chloronicotinaldehyde; |
Article Data | 6 |
The 3-Pyridinecarboxaldehyde, 2-amino-5-chloro-, with the CAS registry number 54856-61-0, is also known as 2-amino-5-chloronicotinaldehyde. This chemical's molecular formula is C6H5ClN2O and molecular weight is 156.57. What's more, its systematic name is 2-amino-5-chloropyridine-3-carbaldehyde.
Physical properties of 3-Pyridinecarboxaldehyde, 2-amino-5-chloro- are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 119; (8)ACD/KOC (pH 7.4): 119; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.98 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 40.228 cm3; (15)Molar Volume: 108.554 cm3; (16)Polarizability: 15.948×10-24cm3; (17)Surface Tension: 64.96 dyne/cm; (18)Density: 1.442 g/cm3; (19)Flash Point: 136.371 °C; (20)Enthalpy of Vaporization: 54.205 kJ/mol; (21)Boiling Point: 301.877 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=NC=C1Cl)N)C=O
(2)InChI: InChI=1S/C6H5ClN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-3H,(H2,8,9)
(3)InChIKey: IJLNTKNOWITPHC-UHFFFAOYSA-N