Product Name

  • Name

    (3S,4R)-4-(2-BROMOPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID

  • EINECS
  • CAS No. 1047651-83-1
  • Density 1.522 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H12BrNO2
  • Boiling Point 401.7 °C at 760 mmHg
  • Molecular Weight 270.12
  • Flash Point 196.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1047651-83-1 ((3S,4R)-4-(2-BROMOPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID)
  • Hazard Symbols
  • Synonyms (3S,4R)-4-(2-BROMOPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;3-Pyrrolidinecarboxylic acid, 4-(2-bromophenyl)-, (3S,4R)-
  • PSA 49.33000
  • LogP 2.16550

(3S,4R)-4-(2-Bromophenyl)pyrrolidine-3-carboxylic acid Specification

The (3S,4R)-4-(2-Bromophenyl)pyrrolidine-3-carboxylic acid is an organic compound with the formula C11H12BrNO2. The IUPAC name of this chemical is (3S,4R)-4-(2-bromophenyl)pyrrolidine-3-carboxylic acid. With the CAS registry number 1047651-83-1, it is also named as Trans-4-(2-bromophenyl)pyrrolidine-3-carboxylic acid.

Physical properties about (3S,4R)-4-(2-Bromophenyl)pyrrolidine-3-carboxylic acid are: (1)ACD/LogP: 1.89 ; (2)ACD/LogD (pH 5.5): -0.61; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 60.03 cm3; (14)Molar Volume: 177.3 cm3; (15)Polarizability: 23.8×10-24cm3; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.522 g/cm3; (18)Flash Point: 196.8 °C; (19)Enthalpy of Vaporization: 68.84 kJ/mol; (20)Boiling Point: 401.7 °C at 760 mmHg; (21)Vapour Pressure: 3.56E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2[C@H](c1c(Br)cccc1)CNC2
(2)InChI: InChI=1/C11H12BrNO2/c12-10-4-2-1-3-7(10)8-5-13-6-9(8)11(14)15/h1-4,8-9,13H,5-6H2,(H,14,15)/t8-,9+/m0/s1
(3)InChIKey: YRGSCRAWFNNSIP-DTWKUNHWBA
(4)Std. InChI: InChI=1S/C11H12BrNO2/c12-10-4-2-1-3-7(10)8-5-13-6-9(8)11(14)15/h1-4,8-9,13H,5-6H2,(H,14,15)/t8-,9+/m0/s1
(5)Std. InChIKey: YRGSCRAWFNNSIP-DTWKUNHWSA-N

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