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HCID 12640721Erstellt: 1. November 2026

1,1,5,5-Tetrafluoro-2,4-pentanedione

AKOS B007383 · ART-CHEM-BB B016250 · 1,1,5,5-Tetrafluoroacetylacetone · 1,1,5,5-Tetrafluoropentane-2,4-dione · 1,1,5,5-Tetrafluoro-2,4-pentanedione · 1,1-Difluoro-3-(difluoroacetyl)acetone, 2,4-Dioxo-1,1,5,5-tetrafluoropentane, 1,1,5,5-Tetrafluoroacetylacetone

https://huagongshe.com/de/chemical/12640721

Molekülstruktur von 1,1,5,5-Tetrafluoro-2,4-pentanedione

Identifikatoren & physikalische Daten

CAS No.	70086-62-3
Summenformel	C5H4F4O2
Durchschnittliche Molmasse	172,08 g/mol
Monoisotopische Masse	172,01474225 g/mol
SMILES	O=C(CC(=O)C(F)F)C(F)F
InChIKey	FTTDMWQQHZSARH-UHFFFAOYSA-N
PubChem CID	12640721
EC No.	810-863-2
DTXSID	DTXSID20505345

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	34,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	4
Schwere Atome	11
Formalladung	0
Komplexität	148
Siedepunkt	127°C(lit.)
Dichte	1.345±0.06 g/cm3(Predicted)
Brechungsindex	1.3940 to 1.3980
pKa (Säurekonstante)	5.39±0.46(Predicted)
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow to Light orange
InChI	1S/C5H4F4O2/c6-4(7)2(10)1-3(11)5(8)9/h4-5H,1H2
InChIKey	FTTDMWQQHZSARH-UHFFFAOYSA-N
SMILES	FC(F)C(=O)CC(=O)C(F)F

Sicherheit & Vorschriften

GHS-Einstufung	DangerH226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Flam. Liq. 3 (66.7%)
Wassergefährdungsklasse (WGK)	WGK 3
UN-Transportnummer	UN 2920 8/3/PG II
Zollcode	2914790090
R-Sätze (R)	36
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26
Gefahrenklasse	IRRITANTEye Irrit. 2
Verpackungsgruppe	II
Lagerklasse	11 - Combustible Solids

1,1,5,5-Tetrafluoro-2,4-pentanedione

CAS No.

70086-62-3

Summenformel

C5H4F4O2

Durchschnittliche Molmasse

172,08 g/mol

Monoisotopische Masse

172,01474225 g/mol

SMILES

O=C(CC(=O)C(F)F)C(F)F

InChIKey

FTTDMWQQHZSARH-UHFFFAOYSA-N

PubChem CID

12640721

EC No.

810-863-2

DTXSID

DTXSID20505345

Chemische & physikalische Eigenschaften

XLogP

1,5

Polarare Oberfläche (TPSA)

34,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

148

Siedepunkt

127°C(lit.)

Dichte

1.345±0.06 g/cm3(Predicted)

Brechungsindex

1.3940 to 1.3980

pKa (Säurekonstante)

5.39±0.46(Predicted)

Aggregatzustand

clear liquid

Farbe

Colorless to Light yellow to Light orange

InChI

1S/C5H4F4O2/c6-4(7)2(10)1-3(11)5(8)9/h4-5H,1H2

InChIKey

FTTDMWQQHZSARH-UHFFFAOYSA-N

SMILES

FC(F)C(=O)CC(=O)C(F)F

Sicherheit & Vorschriften

GHS-Einstufung

DangerH226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Flam. Liq. 3 (66.7%)

Wassergefährdungsklasse (WGK)

WGK 3

UN-Transportnummer

UN 2920 8/3/PG II

Zollcode

2914790090

R-Sätze (R)

Gefahrensymbole

Sicherheitshinweise (S)

Gefahrenklasse

IRRITANTEye Irrit. 2

Verpackungsgruppe

Lagerklasse

11 - Combustible Solids