Benzene,1,1'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[4-isocyanato- (9CI)

Product Information

Molecular Formula:
C17H8 F6 N2 O2
Molecular Weight:
386.25
Description
Benzene,1,1'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[4-isocyanato- (9CI) is a compound of immense scientific importance and finds wide-ranging applications in the biomedical industry. Its multifaceted utility in the synthesis of compounds precisely targeting diverse diseases has propelled it to the forefront of pharmaceutical research. By virtue of its distinctive chemical composition, this compound holds immense promise as a potential therapeutic agent for combating a myriad of afflictions.
Synonyms
2,2-BIS(4-ISOCYANATOPHENYL)HEXAFLUOROPROPANE; 4,4'-(HEXAFLUOROISOPROPYLIDENE)BIS(ISOCYANATOBENZENE); bisisocyanotophenylhexafluoropropane; 2,2-Bis(4-isocyanatophenyl)hexafluoropropane 96%; 2,2-Bis(4-isocyanatophenyl)hexafluoropropane96%; 2,2-BIS(ISOCYANOTOPHE
IUPAC Name
1-[1,1,1,3,3,3-hexafluoro-2-(4-isocyanatophenyl)propan-2-yl]-4-isocyanatobenzene
Canonical SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)N=C=O)(C(F)(F)F)C(F)(F)F)N=C=O
InChI
InChI=1S/C17H8F6N2O2/c18-16(19,20)15(17(21,22)23,11-1-5-13(6-2-11)24-9-26)12-3-7-14(8-4-12)25-10-27/h1-8H
InChI Key
QIPLQPPNURSGKC-UHFFFAOYSA-N
Boiling Point
246.1°C at 760 mmHg
Flash Point
189 °C
Purity
>96.0%(GC)
Density
1.46
Storage
0-10°C
Refractive Index
1.53

Safety Information

Hazards
H301+H331:
Toxic if swallowed.
Toxic if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P304+P340+P311:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician.
P403+P233:
Store in a well ventilated place.
Keep container tightly closed.

Computed Properties

XLogP3
7.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
4
Exact Mass
386.04899647 g/mol
Monoisotopic Mass
386.04899647 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
550
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114058204-A Fluorine-containing thermosensitive dye microcapsule, preparation method thereof and film 2022-01-14
CN-113620814-A Green preparation method of 2, 2-bis (4-aminophenyl) hexafluoropropane 2021-08-10
CN-113087681-A Cyclic polyurea molecule, preparation method and application thereof 2021-04-15
WO-2022025133-A1 Microcapsule production method 2020-07-31
JP-2021189319-A Machine-developed lithographic printing plate original plate, lithographic printing plate manufacturing method, and lithographic printing method 2020-05-29
WO-2021241693-A1 Layered body 2020-05-29
CN-111302948-A Synthesis method of 2, 2-bis (4-aminophenyl) hexafluoropropane 2020-04-13
JP-2021138673-A How to make a dental complex 2020-03-10
WO-2021172453-A1 Lithographic printing plate original plate, lithographic printing plate manufacturing method, and lithographic printing method 2020-02-28
WO-2021153446-A1 Polyurethane-based composite material production method, polyurethane-based composite material, and material for dental cutting 2020-01-28
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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