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
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.
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.
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 |
