Product Name

  • Name

    2-amino-5-chloronicotinaldehyde

  • EINECS
  • CAS No. 54856-61-0
  • Article Data6
  • CAS DataBase
  • Density 1.442 g/cm3
  • Solubility
  • 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
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 54856-61-0 (2-amino-5-chloronicotinaldehyde)
  • Hazard Symbols
  • Synonyms 2-Amino-5-chloropyridine-3-carbaldehyde;2-Amino-5-chloronicotinaldehyde;
  • PSA 55.98000
  • LogP 1.71090

3-Pyridinecarboxaldehyde, 2-amino-5-chloro- Specification

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

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