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Ethane,2-bromo-1,1-difluoro-

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  • Name Ethane,2-bromo-1,1-difluoro-
  • EINECS206-624-1
  • CAS No. 359-07-9
  • Density1.685 g/cm3
  • PSA0.00000
  • LogP1.64640
  • SolubilityN/A
  • Melting Point-74.9°C
  • FormulaC2H3BrF2
  • Boiling Point56.1 °C at 760 mmHg
  • Molecular Weight144.947
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceColorless.Liquid.
  • Safety26-36/37/39
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 359-07-9 (2-BROMO-1,1-DIFLUOROETHANE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi

Ethane,2-bromo-1,1-difluoro- Specification

The Ethane,2-bromo-1,1-difluoro-, with the CAS registry number 359-07-9, has the systematic name and IUPAC name of 2-bromo-1,1-difluoroethane. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C2H3BrF2.

The characteristics of Ethane,2-bromo-1,1-difluoro- are as followings: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.27; (6)ACD/BCF (pH 7.4): 4.27; (7)ACD/KOC (pH 5.5): 98.34; (8)ACD/KOC (pH 7.4): 98.34; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.367; (14)Molar Refractivity: 19.33 cm3; (15)Molar Volume: 86 cm3; (16)Polarizability: 7.66×10-24cm3; (17)Surface Tension: 19.3 dyne/cm; (18)Density: 1.685 g/cm3; (19)Enthalpy of Vaporization: 28.66 kJ/mol; (20)Boiling Point: 56.1 °C at 760 mmHg; (21)Vapour Pressure: 242 mmHg at 25°C. 

Uses of Ethane,2-bromo-1,1-difluoro-: It can react with 4,4,5,5-tetramethyl-2-phenylsulfanylmethyl-[1,3,2]dioxaborolane to produce 2-(3,3-difluoro-1-phenylsulfanyl-propyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane. This reaction will need reagent BuLi and diisopropylamine, and the menstruum tetrahydrofuran and hexane. The reaction time is 16 hours with temperature of 20°C, and the yield is about 56%.   

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCC(F)F
(2)InChI: InChI=1/C2H3BrF2/c3-1-2(4)5/h2H,1H2
(3)InChIKey: JVYROUWXXSWCMI-UHFFFAOYAS

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