1,1,1-Trifluor-2-methylpropan-2-ol

1,1,1-Trifluoro-2-methylpropan-2-ol

HCID 68182CAS 507-52-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(C)(O)C(F)(F)F
InChIKey: OCGWWLDZAFOHGD-UHFFFAOYSA-N
Summenformel: C4H7F3O
Durchschnittliche Molmasse: 128,09 g/mol
Monoisotopische Masse: 128,04489933

Namen und Bezeichner

Bevorzugter Name: 1,1,1-Trifluoro-2-methylpropan-2-ol
IUPAC: 1,1,1-trifluoro-2-methylpropan-2-ol
Lokaler Name: 1,1,1-Trifluor-2-methylpropan-2-ol
Englischer Name: 2-Trifluoromethyl-2-propanol
Summenformel: C4H7F3O
Molmasse: 128.09

Namen und Synonyme

507-52-81,1,1-Trifluoro-2-methylpropan-2-ol1,1,1-trifluoro-2-methyl-2-propanol2-Propanol, 1,1,1-trifluoro-2-methyl-EINECS 208-075-3MM78D29ULQNSC-3633DTXSID801987521-TRIFLUOROMETHYLISOPROPANOLNSC 3633TRIFLUORO-TERT-BUTYL ALCOHOLRefChem:409444

Weitere Namen anzeigen

SKL0672,2,2-Trifluoro-tert-Butanol2-Trifluoromethylisopropanol2-(TRIFLUOROMETHYL)-PROPANOL-22-TRIFLUOROMETHYL-2-PROPANOL 95%2-(Trifluoromethyl)propan-2-ol98%

DTXCID40121243208-075-32-Trifluoromethyl-2-propanol2-(Trifluoromethyl)propan-2-ol2-(trifluoromethyl)-2-propanolMFCD00014391NSC3633UNII-MM78D29ULQ

Datenbank-Bezeichner

CAS: 507-52-8
PubChem CID: 68182
DTXSID: DTXSID80198752
UNII: MM78D29ULQ
EC Number: 208-075-3
Nikkaji: J25.040F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 83

Physikochemische Eigenschaften

Schmelzpunkt: 53 ℃ · 53℃
Siedepunkt: 83 °C · 83 °C (lit.)
Dichte: 1.17 g/mL · 1.17 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.3335(lit.)
Flammpunkt: 59 °F · 59 °F
pka: 12.6 · 12.60±0.29(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
BRN: 1736196 · 1736196
InChI: 1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
InChIKey: OCGWWLDZAFOHGD-UHFFFAOYSA-N
SMILES: CC(C)(O)C(F)(F)F
CAS Datenbank: 507 · 507-52-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (14.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (97.9%)；Skin Irrit. 2 (14.9%)；Eye Irrit. 2A (14.9%)；STOT SE 3 (14.9%)

Sicherheitsdaten

wgk: 3
ridadr: 1987
hs_code: 2905599890
risk_code: 11
hazard_code: F
hazard_note: Flammable
safety_code: 16-23-36
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Trifluoromethyl-2-propanol may be employed as a solvent for the preparation of [18F]fluorothymidine. It may also be used in the synthesis of [2-(trifluoromethyl)-2-propyl nitrate] through nitration in nitric acid/trifluoroacetic anhydride.