1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-

2-Thenoylperfluorobutyrylmethane · Perfluorobutyryl-(2-thenoyl)methane · 2-2-(Heptafluorobutyryl)acetylthiophene · Heptafluoro-1-(2-thienyl)-1,3-hexanedione · 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-3-hexanedione · 4,4,5,5,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione · 4,4,5,5,6,6,6-HEPTAFLUORO-1-(2-THIENYL)-1,3-HEXANEDIONE · 4,4,5,5,6,6,6-HEPTAFLUORO-1-(THIEN-2-YL)HEXANE-1,3-DIONE

https://huagongshe.com/de/chemical/68411

Molekülstruktur von 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-

Identifikatoren & physikalische Daten

CAS No.	559-94-4
Summenformel	C10H5F7O2S
Durchschnittliche Molmasse	322,2 g/mol
Monoisotopische Masse	321,98984771 g/mol
SMILES	O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1cccs1
InChIKey	QHOQGOZSTQAYRH-UHFFFAOYSA-N
PubChem CID	68411
EC No.	671-017-4
DTXSID	DTXSID7060332

Chemische & physikalische Eigenschaften

XLogP	3,9
Polarare Oberfläche (TPSA)	62,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	10
Frei drehbare Bindungen	5
Schwere Atome	20
Formalladung	0
Komplexität	405
Schmelzpunkt	214.5°C
Siedepunkt	112 °C (8 mmHg)
Dichte	1.53
Brechungsindex	1.5005-1.5025
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand	liquid
pKa (Säurekonstante)	5.73±0.46(Predicted)
Farbe	Clear
CAS Datenbank	559-94-4(CAS DataBase Reference)
EPA chemische Informationen	1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- (559-94-4)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Regulatorische Informationen	S - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
TSCA-Inventar-Status	TSCA listed
Zollcode	2934999090
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	24/25