2-(2-BROMOPHENYL)-PYRROLIDINE

The Pyrrolidine,2-(2-bromophenyl)-, with CAS registry number 129540-24-5, has the systematic name of 2-(2-bromophenyl)pyrrolidine. Besides this, it is also called 2-(2-bromophenyl)pyrrolidine oxalate (2:1). Its molecular weight is 226.11. And the chemical formula of this chemical is C₁₀H₁₂BrN.

Physical properties of Pyrrolidine,2-(2-bromophenyl)-: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.66; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 53.92 cm³; (15)Molar Volume: 165.1 cm³; (16)Polarizability: 21.37×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.369 g/cm³; (19)Flash Point: 119.6 °C; (20)Enthalpy of Vaporization: 51.26 kJ/mol; (21)Boiling Point: 274.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00547 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-(2-bromo-phenyl)-3,4-dihydro-2H-pyrrole. This reaction will need reagent NaBH₄. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
The Pyrrolidine,2-(2-bromophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1C2NCCC2
(2)InChI: InChI=1/C10H12BrN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2
(3)InChIKey: BSLGMIVYENBFFY-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H12BrN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2
(5)Std. InChIKey: BSLGMIVYENBFFY-UHFFFAOYSA-N