Product Name

  • Name

    DL-3,4-Difluorophenylalanine

  • EINECS
  • CAS No. 32133-36-1
  • Article Data2
  • CAS DataBase
  • Density 1.379 g/cm3
  • Solubility
  • Melting Point 237 °C
  • Formula C9H9F2NO2
  • Boiling Point 311.9 °C at 760 mmHg
  • Molecular Weight 201.173
  • Flash Point 142.5 °C
  • Transport Information
  • Appearance
  • Safety 36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 32133-36-1 (DL-3,4-Difluorophenylalanine)
  • Hazard Symbols IrritantXi
  • Synonyms dl-3,4-Difluorophenylalanine;3,4-difluoro-dl-phenylalanine;3,4-Difluoro-DL-phenylalanine;3,4-Difluorophenylalanine;
  • PSA 63.32000
  • LogP 1.61950

DL-3,4-Difluorophenylalanine Specification

The DL-3,4-Difluorophenylalanine, with CAS registry number 32133-36-1, belongs to the following product categories: (1)Fluorobenzene; (2)Benzenes. It has the systematic name of 3,4-difluorophenylalanine. And the chemical formula of this chemical is C9H9F2NO2.

Physical properties of DL-3,4-Difluorophenylalanine: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -1.38; (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; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 45.48 cm3; (15)Molar Volume: 145.8 cm3; (16)Polarizability: 18.03×10-24cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Enthalpy of Vaporization: 58.38 kJ/mol; (19)Vapour Pressure: 0.000234 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The DL-3,4-Difluorophenylalanine 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: Fc1ccc(cc1F)CC(C(=O)O)N
(2)InChI: InChI=1/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
(3)InChIKey: PRAWYXDDKCVZTL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
(5)Std. InChIKey: PRAWYXDDKCVZTL-UHFFFAOYSA-N

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