2-(Trifluoromethyl)acrylic acid

HCID 587694CAS 381-98-6

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Grundinformationen

Standard-SMILES: C=C(C(=O)O)C(F)(F)F
InChIKey: VLSRKCIBHNJFHA-UHFFFAOYSA-N
Summenformel: C4H3F3O2
Durchschnittliche Molmasse: 140,06 g/mol
Monoisotopische Masse: 140,00851382

Namen und Bezeichner

Bevorzugter Name: 2-(Trifluoromethyl)acrylic acid
IUPAC: 2-(trifluoromethyl)prop-2-enoic acid
Englischer Name: 2-(Trifluoromethyl)acrylic acid
Summenformel: C4H3F3O2
Molmasse: 140.06

Namen und Synonyme

2-(Trifluoromethyl)acrylic acid381-98-6DTXSID70343138RefChem:462533DTXCID30294218627-408-72-(Trifluoromethyl)propenoic acid2-(trifluoromethyl)prop-2-enoic acidTFMAAMFCD00042424trifluoromethacrylic acidtrifluoromethylacrylic acid

Weitere Namen anzeigen

2-(Trifluoα-TrifluoromethylacrylateTrifluoroMethyl)acrylic ac2-(Trifluoromethyl)AcrylicAci-(Trifluoromethyl)acrylic acid2-(trifluoromethyl)-2-propenoate2-(trifluoromethyl)prop-2-enoate

2-Propenoic acid, 2-(trifluoromethyl)-2-trifluoromethylacrylic acidalpha-trifluoromethylacrylic acida-trifluoromethylacrylic acidSCHEMBL203037SCHEMBL8648182-trifluoromethyl-acrylic acid2-trifluoromethylpropenoic acid

Datenbank-Bezeichner

CAS: 381-98-6
PubChem CID: 587694
DTXSID: DTXSID70343138
EC Number: 627-408-7
Nikkaji: J393.216H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 146

Physikochemische Eigenschaften

Schmelzpunkt: 51 · 51-52 °C (lit.)
Siedepunkt: 86 °C · 86 °C
Dichte: 1.3949 · 1.3949 (estimate)
Flammpunkt: 179 °F · 179 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Chunks
pka: 2.07 · 2.07±0.11(Predicted)
Farbe: Light yellow
Wasserlöslichkeit: Soluble in water.
InChI: InChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9)
InChIKey: VLSRKCIBHNJFHA-UHFFFAOYSA-N
SMILES: C(O)(=O)C(C(F)(F)F)=C
CAS Datenbank: 381 · 381-98-6(CAS DataBase Reference)

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 50 reports by companies from 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29161900
risk_code: 34-36/37/38
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45-37/39
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden2-(Trifluoromethyl)acrylic acid is used as an acidic functional monomer for molecular imprinting of nicotine. And also used in the conventional functional monomer methacrylic acid.