1-(Benzenesulfonyl)-3-bromo-1H-pyrrolo[2,3-b]pyridine supplier

Name
1-(Benzenesulfonyl)-3-bromo-1H-pyrrolo[2,3-b]pyridine
EINECS
CAS No. 880769-95-9
Article Data10
CAS DataBase
Density 1.64 g/cm³
Solubility
Melting Point 140-145 °C
Formula C₁₃H₉BrN₂O₂S
Boiling Point 511.4 °C at 760 mmHg
Molecular Weight 337.197
Flash Point 263.1 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 1-(Benzenesulfonyl)-3-bromo-1H-pyrrolo[2,3-b]pyridine;
PSA 60.34000
LogP 4.11660

1-(Benzenesulfonyl)-3-bromo-1H-pyrrolo[2,3-b]pyridine Specification

The 1H-Pyrrolo[2,3-b]pyridine,3-bromo-1-(phenylsulfonyl)-, with the CAS registry number 880769-95-9, is also known as 1-(Benzenesulfonyl)-3-bromo-1H-pyrrolo[2,3-b]pyridine. This chemical's molecular formula is C₁₃H₉BrN₂O₂S and molecular weight is 337.1918.

Physical properties about 1H-Pyrrolo[2,3-b]pyridine,3-bromo-1-(phenylsulfonyl)-: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (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: 1.699; (10)Molar Refractivity: 79.12 cm³; (11)Molar Volume: 204.7 cm³; (12)Polarizability: 31.36×10^-24 cm³; (13)Surface Tension: 60.2 dyne/cm; (14)Density: 1.64 g/cm³; (15)Flash Point: 263.1 °C; (16)Enthalpy of Vaporization: 78.24 kJ/mol; (17)Boiling Point: 511.4 °C at 760 mmHg; (18)Vapour Pressure: 1.42E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)S(=O)(=O)n2cc(c3c2nccc3)Br
(2) InChI: InChI=1/C13H9BrN2O2S/c14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10/h1-9H
(3) InChIKey: TZTSMNAZKFSLIC-UHFFFAOYAC

Product Name

1-(Benzenesulfonyl)-3-bromo-1H-pyrrolo[2,3-b]pyridine

1-(Benzenesulfonyl)-3-bromo-1H-pyrrolo[2,3-b]pyridine Specification

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