1-(2-BROMOETHYL)PYRROLE

The 1H-Pyrrole,1-(2-bromoethyl)-, with the CAS registry number 78358-86-8, is also known as 1-(2-Bromoethyl)pyrrole. It belongs to the product categories of Functional Materials; Pyrroles (for Conduting Polymer Research); Reagents for Conducting Polymer Research; Pyrrole. This chemical's molecular formula is C₆H₈BrN and molecular weight is 174.0384. What's more, its systematic name is called 1-(2-Bromoethyl)-1H-pyrrole.

Physical properties about this chemical are: (1)ACD/LogP: 1.94; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 22; (6)ACD/BCF (pH 7.4): 22; (7)ACD/KOC (pH 5.5): 323; (8)ACD/KOC (pH 7.4): 323; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 39.157 cm³; (15)Molar Volume: 123.59 cm³; (16)Polarizability: 15.523×10^-24 cm³; (17)Surface Tension: 39.007 dyne/cm; (18)Density: 1.408 g/cm³; (19)Flash Point: 76.638 °C; (20)Enthalpy of Vaporization: 42.138 kJ/mol; (21)Boiling Point: 203.108 °C at 760 mmHg; (22)Vapour Pressure: 0.402 mmHg at 25 °C.

Uses of 1H-Pyrrole,1-(2-bromoethyl)-: it is used to produce other chemicals. For example, it is used to produce 10-Methoxy-5,6-dihydro-pyrrolo[2,1-a]isoquinoline.

The reaction needs reagents Tri-2-furylphosphine, Norbornene, Cs₂CO₃ and solvent Acetonitrile. This reaction will occur at temperature of 90 °C for 23 hours. The yield is 59 %

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCn1cccc1
(2) InChI: InChI=1/C6H8BrN/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6H2
(3) InChIKey: QBAVHEZVBGASER-UHFFFAOYAG