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
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
246.1ºC at 760 mmHg
Flash Point
189 ℃
Purity
>96.0%(GC)
Density
1.46
Storage
0-10℃
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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