Product Name

  • Name

    6-BROMO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE

  • EINECS
  • CAS No. 63839-24-7
  • Article Data16
  • CAS DataBase
  • Density 1.515 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H8BrN
  • Boiling Point 266.325 °C at 760 mmHg
  • Molecular Weight 198.062
  • Flash Point 114.869 °C
  • Transport Information
  • Appearance
  • Safety 45-61-36-26
  • Risk Codes 25-51/53-36/37/38
  • Molecular Structure Molecular Structure of 63839-24-7 (6-BROMO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE)
  • Hazard Symbols T
  • Synonyms 6-Bromoindoline;6-Bromo-2,3-dihydro-1H-indole hydrochloride;
  • PSA 12.03000
  • LogP 2.55510

6-Bromoindoline Specification

The 6-Bromoindoline, with the CAS registry number 63839-24-7, belongs to the product category of Indoline & Oxindole. This chemical's molecular formula is C8H8BrN and molecular weight is 198.0598. Its systematic name is called 6-bromo-2,3-dihydro-1H-indole.

Physical properties of 6-Bromoindoline: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 79; (6)ACD/BCF (pH 7.4): 84; (7)ACD/KOC (pH 5.5): 780; (8)ACD/KOC (pH 7.4): 827; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 44.854 cm3; (14)Molar Volume: 130.742 cm3; (15)Surface Tension: 44.02 dyne/cm; (16)Density: 1.515 g/cm3; (17)Flash Point: 114.869 °C; (18)Enthalpy of Vaporization: 50.43 kJ/mol; (19)Boiling Point: 266.325 °C at 760 mmHg; (20)Vapour Pressure: 0.009 mmHg at 25°C.

Uses of 6-Bromoindoline: it can be used to produce 4-(6-bromo-2,3-dihydro-indol-1-yl)-6-nitro-quinazoline. This reaction will need reagent N,N-dimethylaniline and solvent propan-2-ol with reaction time of 1 hour. The yield is about 32%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2CCNc2c1
(2)InChI: InChI=1/C8H8BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2
(3)InChIKey: MTSYZAHZABCWMS-UHFFFAOYAM

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