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

HCID 68411CAS 559-94-4
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1cccs1
InChIKey
QHOQGOZSTQAYRH-UHFFFAOYSA-N
Summenformel
C10H5F7O2S
Durchschnittliche Molmasse
322,2 g/mol
Monoisotopische Masse
321,98984771

Namen und Bezeichner

Bevorzugter Name
1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-
IUPAC
4,4,5,5,6,6,6-heptafluoro-1-thiophen-2-ylhexane-1,3-dione
Englischer Name
4,4,5,5,6,6,6-HEPTAFLUORO-1-(2-THIENYL)-1,3-HEXANEDIONE
Summenformel
C10H5F7O2S
Molmasse
322.2

Namen und Synonyme

4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-Perfluorobutyryl-(2-thenoyl)methaneNSC 9187RefChem:414999559-94-44,4,5,5,6,6,6-heptafluoro-1-(thiophen-2-yl)hexane-1,3-dione2-ThenoylperfluorobutyrylmethaneMFCD000470914,4,5,5,6,6,6-heptafluoro-1-(thien-2-yl)hexane-1,3-dione(Perfluorobutyryl)-2-thenoylmethaneDTXSID7060332
Weitere Namen anzeigen
2-2-(Heptafluorobutyryl)acetylthiophene4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-3-hexanedione4,4,5,5,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione,95%
4,4,5,5,6,6,6-heptafluoro-1-thiophen-2-ylhexane-1,3-dioneNSC-9187Heptafluoro-1-(2-thienyl)-1,3-hexanedioneC10H5F7O2SNSC91879XDK54AX2LSCHEMBL45977694,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)hexane-1,3-dione

Datenbank-Bezeichner

CAS
559-94-4
PubChem CID
68411
DTXSID
DTXSID7060332
UNII
9XDK54AX2L
EC Number
671-017-4
Nikkaji
J1.603.161E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,9
Polarare Oberfläche (TPSA)
62,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
10
Frei drehbare Bindungen
5
Schwere Atome
20

Physikochemische Eigenschaften

Schmelzpunkt
214.5 °C · 214.5°C
Siedepunkt
112 °C · 112 °C (8 mmHg)
Dichte
1.53 · 1.53
Brechungsindex
1.5005 · 1.5005-1.5025
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand
liquid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (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 exposure; Respiratory 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.

Gefahrenhinweise

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Regulatorische Informationen

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

Sicherheitsdaten

tsca
TSCA listed
hs_code
2934999090
hazard_code
Xi
hazard_note
Irritant
safety_code
24/25

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-: INACTIVE

Anbieter14 Anbieter

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]

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