2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane

HCID 632603

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Grundinformationen

CAS: 83558-87-6
Standard-SMILES: Nc1cc(C(c2ccc(O)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIKey: MSTZGVRUOMBULC-UHFFFAOYSA-N
Summenformel: C15H12F6N2O2
Durchschnittliche Molmasse: 366,26 g/mol
Monoisotopische Masse: 366,08029694

Namen und Bezeichner

Bevorzugter Name: 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
IUPAC: 2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
Englischer Name: 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
Summenformel: C15H12F6N2O2
Molmasse: 366.26

Namen und Synonyme

2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropanePhenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-amino-Phenol, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(2-amino-RefChem:440827617-475-083558-87-64,4'-(Perfluoropropane-2,2-diyl)bis(2-aminophenol)2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol2,2-Bis(3-amino-4-hydroxyphenyl)-hexafluoropropaneMFCD00039147DTXSID708886104,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)bis(2-aminophenol)

Weitere Namen anzeigen

6FAPAHHFPBIS-AP-AFBAFABAPAF2,2-Bis(3-aMino-4-hydroxylphenyl)hexafluoropropane(6FAP)1,1-Bis(3-aMino-4-hydroxyphenyl)-2,2,2-trifluoro-1-(trifluoroMethyl)ethaneBis-AP-AF2Bis-AP-AF/6FAP

AC-15022AS-14397SY030449F102012-amino-4-[1-(3-amino-4-hydroxy-phenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenol2,2-Bis(3-Amino-4-hydroxyphenyl(hexafluoropropane))C15H12F6N2O2AMY6824

Datenbank-Bezeichner

CAS: 83558-87-6
PubChem CID: 632603
DTXSID: DTXSID70888610
ChEMBL: CHEMBL2392776
EC Number: 617-475-0
Nikkaji: J236.001B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 92,5 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 2
Schwere Atome: 25
Formalladung: 0
Komplexität: 428

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 245 · 245-248 °C (lit.)
Siedepunkt: 411.3 · 411.3±45.0 °C(Predicted)
Dichte: 1.545 · 1.545±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 9.07 · 9.07±0.10(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2
InChIKey: MSTZGVRUOMBULC-UHFFFAOYSA-N
SMILES: C(C1=CC=C(O)C(N)=C1)(C1=CC=C(O)C(N)=C1)(C(F)(F)F)C(F)(F)F
CAS Datenbank: 83558 · 83558-87-6(CAS DataBase Reference)
EPA chemische Informationen: 4 · Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-amino- (83558-87-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29222990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-amino-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2,2-bis(3-amino-4-hydroxyphenyl)hexafluoropropane（BisAPAF） is a polyimide monomer.It is mairly used in the aynthesis of the heat resisting polymers,especially in the manufacture of specialty polymeoric electronic material-fluorinated polyimides.