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

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

Inquiry

Molecular Formula:

C17H8 F6 N2 O2

Molecular Weight:

386.25

CAS Number:

10224-18-7

Catalog Number:

10224-18-7

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

386.04899647 g/mol

Monoisotopic Mass

386.04899647 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

550

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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