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[1,1'-Biphenyl]-4,4'-diamine,2,2',3,3',5,5',6,6'-octafluoro-

  • Name [1,1'-Biphenyl]-4,4'-diamine,2,2',3,3',5,5',6,6'-octafluoro-
  • EINECS213-861-4
  • CAS No. 1038-66-0
  • Density1.7 g/cm3
  • PSA52.04000
  • LogP4.79320
  • SolubilityN/A
  • Melting Point175-177 °C(lit.)
  • FormulaC12H4F8N2
  • Boiling Point279.4 °C at 760 mmHg
  • Molecular Weight328.164
  • Flash Point124.7 °C
  • Transport InformationUN 3152
  • Appearancewhite to light brown crystalline powder
  • Safety26-37/39
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 1038-66-0 (4,4'-DIAMINOOCTAFLUOROBIPHENYL)
  • Hazard SymbolsIrritantXi, ToxicT
  • SynonymsIrritantXi, ToxicT
  • Article Data6

[1,1'-Biphenyl]-4,4'-diamine,2,2',3,3',5,5',6,6'-octafluoro- Specification

The IUPAC name of  [1,1'-Biphenyl]-4,4'-diamine,2,2',3,3',5,5',6,6'-octafluoro- is 4-(4-amino-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluoroaniline. With the CAS registry number 1038-66-0, it is also named as 2,2',3,3',5,5',6,6'-Octafluorobenzidine. The product's categories are Biphenyls (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research. It is white to light brown crystalline powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 7.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.39; (4)ACD/LogD (pH 7.4): 7.39; (5)#H bond acceptors: 2; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 6.48 Å2; (9)Index of Refraction: 1.526; (10)Molar Refractivity: 59.26 cm3; (11)Molar Volume: 192.9 cm3; (12)Polarizability: 23.49×10-24 cm3; (13)Surface Tension: 41.3 dyne/cm; (14)Enthalpy of Vaporization: 51.81 kJ/mol; (15)Vapour Pressure: 0.00402 mmHg at 25°C; (16)Rotatable Bond Count: 1; (17)Exact Mass: 328.024674; (18)MonoIsotopic Mass: 328.024674; (19)Topological Polar Surface Area: 52; (20)Heavy Atom Count: 22; (21)Complexity: 333.

Uses of [1,1'-Biphenyl]-4,4'-diamine,2,2',3,3',5,5',6,6'-octafluoro-: It can be used to produce 4,4'-Bis-(dichloramino)octafluorbiphenyl. This reaction needs reagent (CH3)3COCl at temperature of 20 °C. The reaction time is 1 hours. The yield is 78%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:Fc1c(c(F)c(F)c(N)c1F)c2c(F)c(F)c(N)c(F)c2F
2. InChI:InChI=1/C12H4F8N2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H2
3. InChIKey:FWOLORXQTIGHFX-UHFFFAOYAZ

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