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Name |
2-(2-Bromophenyl)pyrrolidine |
EINECS | N/A |
CAS No. | 129540-24-5 | Density | 1.369 g/cm3 |
PSA | 12.03000 | LogP | 3.20240 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H12BrN | Boiling Point | 274.2 °C at 760 mmHg |
Molecular Weight | 226.116 | Flash Point | 119.6 °C |
Transport Information | N/A | Appearance | white to beige crystals or crystalline powder |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | R36/37/38:; | |
Synonyms |
2-(2-Bromophenyl)pyrrolidine; |
Article Data | 3 |
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