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

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

EINECS 213-861-4
CAS No. 1038-66-0 Density 1.7 g/cm3
PSA 52.04000 LogP 4.79320
Solubility N/A Melting Point 175-177 °C(lit.)
Formula C12H4F8N2 Boiling Point 279.4 °C at 760 mmHg
Molecular Weight 328.164 Flash Point 124.7 °C
Transport Information UN 3152 Appearance white to light brown crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1038-66-0 (4,4'-DIAMINOOCTAFLUOROBIPHENYL) Hazard Symbols IrritantXi, ToxicT
Synonyms

Benzidine,2,2',3,3',5,5',6,6'-octafluoro- (7CI,8CI);2,2',3,3',5,5',6,6'-Octafluorobenzidine;4,4'-Diaminooctafluorobiphenyl;4,4'-Diaminooctafluorodiphenyl;NSC 88339;Octafluoro-4,4'-biphenylenediamine;Octafluorobenzidine;

Article Data 6

[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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