5′-(4-amino-2,3,5,6-tetrafluorophenyl)-2,2”,3,3”,5,5”,6,6”-octafluoro-[1,1′:3′,1”-terphenyl]-4,4”-diamine CAS#: 1872200-99-1; 凯望编码 (ChemWhat Code): 1491398

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名5′-(4-amino-2,3,5,6-tetrafluorophenyl)-2,2”,3,3”,5,5”,6,6”-octafluoro-[1,1′:3′,1”-terphenyl]-4,4”-diamine
IUPAC Name4-[3,5-bis(4-amino-2,3,5,6-tetrafluorophenyl)phenyl]-2,3,5,6-tetrafluoroaniline 
分子结构structure of 5'-(4-amino-2,3,5,6-tetrafluorophenyl)-2,2'',3,3'',5,5'',6,6''-octafluoro-[1,1':3',1''-terphenyl]-4,4''-diamine CAS 1872200-99-1
CAS编号 1872200-99-1
别名
1872200-99-1
5′-(4-Amino-2,3,5,6-tetrafluorophenyl)-2,2”,3,3”,5,5”,6,6”-octafluoro-[1,1′:3′,1”-terphenyl]-4,4”-diamine
H42460
分子式C24H9F12N3 
分子量567.3
InChIInChI=1S/C24H9F12N3/c25-10-7(11(26)17(32)22(37)16(10)31)4-1-5(8-12(27)18(33)23(38)19(34)13(8)28)3-6(2-4)9-14(29)20(35)24(39)21(36)15(9)30/h1-3H,37-39H2
InChI KeyGEWJCIHKSHAQSA-UHFFFAOYSA-N
SMILESC1=C(C=C(C=C1C2=C(C(=C(C(=C2F)F)N)F)F)C3=C(C(=C(C(=C3F)F)N)F)F)C4=C(C(=C(C(=C4F)F)N)F)F

Physical Data

No data available

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)
Spectrum1Hdimethylsulfoxide-d6
Chemical shifts, Spectrum13Cchloroform-d1
Description (IR Spectroscopy)
ATR (attenuated total reflectance), Spectrum

Route of Synthesis (ROS)

No data available

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

TransportationUnder the room temperature and away from light
HS Code
StorageUnder the room temperature and away from light
Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
分子量567.336
logP7.323
HBA3
HBD3
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)0
Rotatable Bond (RotB)3
Matching Veber Rules2
Use Pattern
5′-(4-amino-2,3,5,6-tetrafluorophenyl)-2,2”,3,3”,5,5”,6,6”-octafluoro-[1,1′:3′,1”-terphenyl]-4,4”-diamine CAS#: 1872200-99-1 used as a new COF/MOF Ligand

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