1-Ethynyl-4-phenoxybenzene

HCID 12788024

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Grundinformationen

CAS: 4200-06-0
Standard-SMILES: C#Cc1ccc(Oc2ccccc2)cc1
InChIKey: LKMNQDOAPYPSNH-UHFFFAOYSA-N
Summenformel: C14H10O
Durchschnittliche Molmasse: 194,23 g/mol
Monoisotopische Masse: 194,07316494

Namen und Bezeichner

Bevorzugter Name: 1-Ethynyl-4-phenoxybenzene
IUPAC: 1-ethynyl-4-phenoxybenzene
Englischer Name: 1-Ethynyl-4-phenoxybenzene
Summenformel: C14H10O
Molmasse: 194.23

Namen und Synonyme

1-Ethynyl-4-phenoxybenzene4200-06-0DTXSID40509865RefChem:230458DTXCID70460672626-025-24'-Phenoxyphenyl acetyleneMFCD038399921-ethynyl-4-phenoxy-benzeneSCHEMBL3090421-Ethynyl-4-phenoxybenzene, 97%AB91834

Weitere Namen anzeigen

-4-phenoxybenzene(4-Phenyloxyphenyl)ethyne1-Ehynyl-4-phenoxybenzene1-(4-ethynylphenoxy)benzeneBenzene, 1-ethynyl-4-phenoxy-1-Ethynyl-4-phenoxybenzene 97%1-ETHYNYL-4-(METHYLTHIO)-BENZENE1-ethynyl-4-(methylsulfanyl)benzene

EN300-236440F2108-0336SCHEMBL1856740AKOS005208482AS-58867FE142661SY269900DB-012642

Datenbank-Bezeichner

CAS: 4200-06-0
PubChem CID: 12788024
DTXSID: DTXSID40509865
EC Number: 626-025-2
Nikkaji: J652.817A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 223

Physikochemische Eigenschaften

Schmelzpunkt: 284 ℃ · 284℃ (decomposition)
Siedepunkt: 90 · 90-95 °C0.4 mm Hg(lit.)
Dichte: 1.074 g/mL · 1.074 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.6060(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Store at room temperature
InChI: 1S/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H
InChIKey: LKMNQDOAPYPSNH-UHFFFAOYSA-N
SMILES: C#Cc1ccc(Oc2ccccc2)cc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 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.