3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic Acid

HCID 2725043

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Grundinformationen

CAS: 662-22-6
Standard-SMILES: O=C(O)C(O)(C(F)(F)F)C(F)(F)F
InChIKey: CMQUGOHGJUTDGZ-UHFFFAOYSA-N
Summenformel: C4H2F6O3
Durchschnittliche Molmasse: 212,05 g/mol
Monoisotopische Masse: 211,99081289

Namen und Bezeichner

Bevorzugter Name: 3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic Acid
IUPAC: 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid
Englischer Name: 2,2-Bis(trifluoromethyl)-2-hydroxyacetic acid
Summenformel: C4H2F6O3
Molmasse: 212.05

Namen und Synonyme

3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic AcidRefChem:485056672-609-5662-22-62,2-Bis(trifluoromethyl)-2-hydroxyacetic acid3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic Acid2,2-BIS(TRIFLUOROMETHYL)-2-HYDROXYACETICACIDMFCD001906312-Hydroxy-3,3,3-trifluoro-2-(trifluoromethyl)propionic acidC4H2F6O34fp1SCHEMBL569050

Weitere Namen anzeigen

2,2-Bis(Trifluoromethyl)GlycoHexafluoro-2-hydroxyisobutyric acid2,2-Bis(trifluoromethyl)glycolic acidPerfluoro-2-hydroxy-2-methylpropanoicacid95%Perfluoro-2-hydroxy-2-methylpropanoic acid 95%

3,3,3-Trifluoro-2-hydroxy-2-trifluoromethylpropionic Acid2,2-bis-trifluoromethyl 2-hydroxyacetic acidPerfluoro-2-hydroxy-2-methylpropanoic acidT25872-Hydroxy-2,2-bis(trifluoromethyl)acetic AcidBFMPropanoic acid, 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)-2,2-BIS(TRIFL

Datenbank-Bezeichner

CAS: 662-22-6
PubChem CID: 2725043
DTXSID: DTXSID00369341
EC Number: 672-609-5
Nikkaji: J3.200.815A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 201

Physikochemische Eigenschaften

Schmelzpunkt: 30 °C · 30°C
Siedepunkt: 153 · 153-156°C
Dichte: 1 · 1,183 g/cm3
Flammpunkt: 153 · 153-156°C
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 0.84 · 0.84±0.22(Predicted)
Farbe: Off-White
BRN: 1790446 · 1790446
CAS Datenbank: 662 · 662-22-6(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,2-bis(Trifluoromethyl)-2-hydroxyacetic acid (662-22-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.