Methylheptafluorbutyrat

Methyl 2,2,3,3,4,4,4-heptafluorobutanoate

HCID 67741CAS 356-24-1

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Grundinformationen

Standard-SMILES: COC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: MRPUVAKBXDBGJQ-UHFFFAOYSA-N
Summenformel: C5H3F7O2
Durchschnittliche Molmasse: 228,06 g/mol
Monoisotopische Masse: 228,00212688

Namen und Bezeichner

Bevorzugter Name: Methyl 2,2,3,3,4,4,4-heptafluorobutanoate
IUPAC: methyl 2,2,3,3,4,4,4-heptafluorobutanoate
Lokaler Name: Methylheptafluorbutyrat
Englischer Name: METHYL HEPTAFLUOROBUTYRATE
Summenformel: C5H3F7O2
Molmasse: 228.06

Namen und Synonyme

Methyl heptafluorobutyrate356-24-1Methyl 2,2,3,3,4,4,4-heptafluorobutanoateMethyl perfluorobutyrateButanoic acid, heptafluoro-, methyl esterHeptafluorobutyryl methyl esterOZ6T850AR02,2,3,3,4,4,4-Heptafluoro-butyric acid methyl esterRefChem:817767206-600-0Methyl heptafluorobutanoateMethyl perfluorobutanoate

Weitere Namen anzeigen

methylheptafluorobutanoateMETHYL PERFLUORO-N-BUTYRATEMethylHeptafluorobutyrate>METHYL HEPTAFLUORO-N-BUTYRATEMethyl perfluorobutanoate 98%Methylheptafluorobutyrate,98%

Heptafluorobutyric acid methyl esterMFCD00000433Butyric acid, heptafluoro-, methyl esterDTXSID4059881methylheptafluorobutyrateButanoic acid, 2,2,3,3,4,4,4-heptafluoro-, methyl esterEINECS 206-600-0methyl perfluorbutanoate

Datenbank-Bezeichner

CAS: 356-24-1
PubChem CID: 67741
DTXSID: DTXSID4059881
UNII: OZ6T850AR0
EC Number: 206-600-0
Nikkaji: J111.004G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 231

Experimentelle und physikochemische Eigenschaften

PFAS · 4 Einträge

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

PFAS -> OECD Category

SpringerMaterials PropertiesDiamagnetic susceptibility

Physikochemische Eigenschaften

Schmelzpunkt: -86 °C · -86°C
Siedepunkt: 80 · 80-81 °C(lit.)
Dichte: 1.472 g/mL · 1.472 g/mL at 25 °C(lit.)
Dampfdichte: 1 · >1 (vs air)
Brechungsindex: 20 · n20/D 1.293(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Storage temp. 2-8°C
Wasserlöslichkeit: Slightly soluble in water
Aggregatzustand: clear liquid
Wichte: 1.472 · 1.472
Farbe: Colorless to Almost colorless
BRN: 1792131 · 1792131
InChI: InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
InChIKey: MRPUVAKBXDBGJQ-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(F)(F)C(F)(F)C(F)(F)F
CAS Datenbank: 356 · 356-24-1(CAS DataBase Reference)
EPA chemische Informationen: Methyl heptafluorobutyrate (356-24-1)

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24059

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG II
hs_code: 29159000
risk_code: 36/37/38
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 26-36-36/37/39
hazard_class: IRRITANT, FLAMMABLE
packing_group: II

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing InformationButanoic acid, 2,2,3,3,4,4,4-heptafluoro-, methyl ester: ACTIVE

Anwendungen

VerwendenMethyl Heptafluorobutyrate is used in method for preparing high-carbon branched secondary Alcohol, and its application in preparing surfactant.