Product Name

  • Name

    4-BROMO-1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDINE

  • EINECS
  • CAS No. 348640-07-3
  • Article Data24
  • CAS DataBase
  • Density 1.59 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H11BrN2O2S
  • Boiling Point 514.9 °C at 760 mmHg
  • Molecular Weight 351.224
  • Flash Point 265.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 348640-07-3 (4-BROMO-1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDINE)
  • Hazard Symbols
  • Synonyms 4-BROMO-1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDINE;1H-Pyrrolo[2,3-b]pyridine, 4-bromo-1-[(4-methylphenyl)sulfonyl]-;N-Tosyl-4-bromo-7-azaindole;4-Bormo-1-tosyl-7-azaindole;4-Bromo-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine;4-Bromo-1-tosyl-1H-pyrrolo[2,3-b]pyridine;4-Bromo-1-tosyl-7-azaindo...;4-BroMo-1-tosyl-7-azaindole
  • PSA 60.34000
  • LogP 4.42500

4-Bormo-1-tosyl-7-azaindole Specification

This chemical is called 4-Bormo-1-tosyl-7-azaindole, and it can also be named as 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-1-[(4-methylphenyl)sulfonyl]-. With the molecular formula of C14H11BrN2O2S, its molecular weight is 351.22. The CAS registry number of this chemical is 348640-07-3.

Other characteristics of the 4-Bormo-1-tosyl-7-azaindole can be summarised as followings: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58 ; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 60.34 Å2; (9)Index of Refraction: 1.684; (10)Molar Refractivity: 83.55 cm3; (11)Molar Volume: 219.9 cm3; (12)Polarizability: 33.12×10-24cm3; (13)Surface Tension: 55.9 dyne/cm; (14)Density: 1.59 g/cm3; (15)Flash Point: 265.2 °C; (16)Enthalpy of Vaporization: 78.66 kJ/mol; (17)Boiling Point: 514.9 °C at 760 mmHg; (18)Vapour Pressure: 1.04E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(cc1)S(=O)(=O)n3ccc2c(Br)ccnc23 
2.InChI: InChI=1/C14H11BrN2O2S/c1-10-2-4-11(5-3-10)20(18,19)17-9-7-12-13(15)6-8-16-14(12)17/h2-9H,1H3
3.InChIKey: JNQDFMCSRQUCQM-UHFFFAOYAA
4.Std. InChI: InChI=1S/C14H11BrN2O2S/c1-10-2-4-11(5-3-10)20(18,19)17-9-7-12-13(15)6-8-16-14(12)17/h2-9H,1H3
5.Std. InChIKey: JNQDFMCSRQUCQM-UHFFFAOYSA-N

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