1-Ethynyl-3,5-difluorobenzene

HCID 4206806

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 151361-87-4
Standard-SMILES: C#Cc1cc(F)cc(F)c1
InChIKey: OTDGZDMGSFBZLI-UHFFFAOYSA-N
Summenformel: C8H4F2
Durchschnittliche Molmasse: 138,11 g/mol
Monoisotopische Masse: 138,02810645

Namen und Bezeichner

Bevorzugter Name: 1-Ethynyl-3,5-difluorobenzene
IUPAC: 1-ethynyl-3,5-difluorobenzene
Englischer Name: 1-Ethynyl-3 5-difluorobenzene 97
Summenformel: C8H4F2
Molmasse: 138.11

Namen und Synonyme

1-Ethynyl-3,5-difluorobenzene151361-87-4DTXSID40400843RefChem:230437DTXCID30351698626-084-43,5-DifluorophenylacetyleneMFCD04039982BENZENE, 1-ETHYNYL-3,5-DIFLUORO-SCHEMBL3143171-ETHYNYL-3 5-DIFLUOROBENZENE 971-Ethynyl-3,5-difluorobenzene, 97%

Weitere Namen anzeigen

Ethynyl-[3,5-Difluorophenyl]ethyne1-Ethynyl-3,5-fluorobenzene3,5-Difluorophenylacetylene 97%1-acetylene-3, 5-difluorobenzene1-Ethynyl-3,5-difluorobenzene 97%Benzene, 1-ethynyl-3,5-difluoro- (9CI)1-Ethynyl-3,5-difluorobenzene - [E47323]

AB17470DS-13345SY0646801-ETHYNYL-3 5-DIFLUOROBENZENE 97E13521-ethynyl-3,5-difluoro-benzeneFT-0646925A18231

Datenbank-Bezeichner

CAS: 151361-87-4
PubChem CID: 4206806
DTXSID: DTXSID40400843
EC Number: 626-084-4
Nikkaji: J1.439.967D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 146

Physikochemische Eigenschaften

Siedepunkt: 123 · 123-124 °C (lit.)
Dichte: 1.163 g/mL · 1.163 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4910(lit.)
Flammpunkt: 78 °F · 78 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Farbe: Colorless to Light orange to Yellow
InChI: InChI=1S/C8H4F2/c1-2-6-3-7(9)5-8(10)4-6/h1,3-5H
InChIKey: OTDGZDMGSFBZLI-UHFFFAOYSA-N
SMILES: C1(C#C)=CC(F)=CC(F)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.