Product Name

  • Name

    1-Benzyl-4-chloro-5-azaindole

  • EINECS
  • CAS No. 35636-10-3
  • Article Data2
  • CAS DataBase
  • Density 1.23 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H11ClN2
  • Boiling Point 418.614 °C at 760 mmHg
  • Molecular Weight 242.708
  • Flash Point 206.971 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 35636-10-3 (1-Benzyl-4-chloro-5-azaindole)
  • Hazard Symbols
  • Synonyms 1-BENZYL-4-CHLORO-5-AZAINDOLE;1-benzyl-4-chloro-1H-pyrrolo[3,2-c]pyridine
  • PSA 17.82000
  • LogP 3.73800

1-Benzyl-4-chloro-5-azaindole Specification

The 1-Benzyl-4-chloro-5-azaindole is an organic compound with the formula C14H11ClN2. The systematic name of this chemical is 1-benzyl-3-chloro-pyrrolo[2,3-b]pyridine. With the CAS registry number 35636-10-3, it is also named as 1-Benzyl-3-chloro-7-azaindole.

Physical properties about 1-Benzyl-4-chloro-5-azaindole are: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 3.438; (3)ACD/LogD (pH 7.4): 3.458; (4)ACD/BCF (pH 5.5): 238.485; (5)ACD/BCF (pH 7.4): 250.168; (6)ACD/KOC (pH 5.5): 1727.477; (7)ACD/KOC (pH 7.4): 1812.106; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.82 Å2; (11)Index of Refraction: 1.64; (12)Molar Refractivity: 71.028 cm3; (13)Molar Volume: 197.265 cm3; (14)Polarizability: 28.158×10-24cm3; (15)Surface Tension: 45.818 dyne/cm; (16)Density: 1.23 g/cm3; (17)Flash Point: 206.971 °C; (18)Enthalpy of Vaporization: 64.612 kJ/mol; (19)Boiling Point: 418.614 °C at 760 mmHg.

Uses of 1-Benzyl-4-chloro-5-azaindole: it can be used to produce benzyl-1 formyl-2 chloro-4 pyrrolo[3,2-c]pyridine. It will need reagent tert-butyllithium and solvent diethyl ether. The yield is about 58%.

1-Benzyl-4-chloro-5-azaindole and N,N-dimethyl-formamide can be used to produce benzyl-1 formyl-2 chloro-4 pyrrolo[3,2-c]pyridine

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)Cn2cc(c3c2nccc3)Cl
(2)InChI: InChI=1/C14H11ClN2/c15-13-10-17(9-11-5-2-1-3-6-11)14-12(13)7-4-8-16-14/h1-8,10H,9H2
(3)InChIKey: YCKXZASITBMUDH-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H11ClN2/c15-13-10-17(9-11-5-2-1-3-6-11)14-12(13)7-4-8-16-14/h1-8,10H,9H2
(5)Std. InChIKey: YCKXZASITBMUDH-UHFFFAOYSA-N

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