5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl methacrylate

HCID 16050138

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Grundinformationen

CAS: 630414-85-6
Standard-SMILES: C=C(C)C(=O)OC(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIKey: CZDKPGBADTUZLK-UHFFFAOYSA-N
Summenformel: C10H12F6O3
Durchschnittliche Molmasse: 294,19 g/mol

Namen und Bezeichner

Bevorzugter Name: 5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl methacrylate
IUPAC: [5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate
Englischer Name: 2-Propenoic acid, 2-Methyl-, 4,4,4-trifluoro-3-hydroxy-1-Methyl-3-(trifluoroMethyl)butyl ester
Summenformel: C10H12F6O3
Molmasse: 294.19

Namen und Synonyme

630414-85-65,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl methacrylateMFCD281376262-PROPENOIC ACID, 2-METHYL-, 4,4,4-TRIFLUORO-3-HYDROXY-1-METHYL-3-(TRIFLUOROMETHYL)BUTYL ESTER1,1,1-trifluoro-2-trifluoromethyl-2-hydroxy-4-pentyl Methacrylate5,5,5-TRIFLUORO-4-HYDROXY-4-(TRIFLUOROMETHYL)PENTAN-2-YL 2-METHYLPROP-2-ENOATE4,4,4-Trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl 2-methyl-2-propenoate6F6CmaSCHEMBL752481,1,1-Trifluoro-2-trifluoromethyl-2- hydroxy-4-pentyl methacrylate[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoateDA-30483

Weitere Namen anzeigen

5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-2-yl methacrylate

SY324741F9393311,1,1 -trifluoro-2-trifluoromethyl-2-hydroxy-4-pentyl methacrylate2-Hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-4-pentyl methacrylate5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentyl Methacrylate5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-ylmethacrylate2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-4-(trifluoromethyl)butyl ester

Datenbank-Bezeichner

CAS: 630414-85-6
PubChem CID: 16050138
EC Number: 687-525-4
Nikkaji: J2.196.046B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 5
Schwere Atome: 19
Formalladung: 0
Komplexität: 343

Physikochemische Eigenschaften

Siedepunkt: 291 · 291.0±40.0 °C(Predicted)
Dichte: 1.321 · 1.321±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 9.32 · 9.32±0.29(Predicted)

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.