Product Name

  • Name

    2-Chloro-3-formyl-4-picoline

  • EINECS
  • CAS No. 884495-45-8
  • Density 1.27g/cm3
  • Solubility
  • Melting Point
  • Formula C7H6ClNO
  • Boiling Point 271.196 °C at 760 mmHg
  • Molecular Weight 155.5816
  • Flash Point 117.815 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 884495-45-8 (2-Chloro-3-formyl-4-picoline)
  • Hazard Symbols
  • Synonyms 2-chloro-4-Methylnicotinaldehyde;2-Chloro-4-methyl-3-pyridinecarboxaldehyde
  • PSA 29.96000
  • LogP 1.85590

3-Pyridinecarboxaldehyde,2-chloro-4-methyl- Specification

The 3-Pyridinecarboxaldehyde,2-chloro-4-methyl-, with CAS registry number 884495-45-8, belongs to the following product category: Pyridine. It has the systematic name of 2-chloro-4-methyl-pyridine-3-carbaldehyde. Besides this, it is also called 2-Chloro-3-formyl-4-picoline. And the chemical formula of this chemical is C7H6ClNO.

Physical properties of 3-Pyridinecarboxaldehyde,2-chloro-4-methyl-: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.524; (4)ACD/LogD (pH 7.4): 1.524; (5)ACD/BCF (pH 5.5): 8.479; (6)ACD/BCF (pH 7.4): 8.479; (7)ACD/KOC (pH 5.5): 160.748; (8)ACD/KOC (pH 7.4): 160.748; (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: 1.581; (14)Molar Refractivity: 40.817 cm3; (15)Molar Volume: 122.549 cm3; (16)Polarizability: 16.181×10-24cm3; (17)Surface Tension: 46.486 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 117.815 °C; (20)Enthalpy of Vaporization: 50.942 kJ/mol; (21)Boiling Point: 271.196 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccnc(c1C=O)Cl
(2)InChI: InChI=1/C7H6ClNO/c1-5-2-3-9-7(8)6(5)4-10/h2-4H,1H3
(3)InChIKey: YKJJHNSTEUWGPK-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H6ClNO/c1-5-2-3-9-7(8)6(5)4-10/h2-4H,1H3
(5)Std. InChIKey: YKJJHNSTEUWGPK-UHFFFAOYSA-N

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