1-Ethyl-4-ethynylbenzene

HCID 142425CAS 40307-11-7

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Grundinformationen

Standard-SMILES: C#Cc1ccc(CC)cc1
InChIKey: ZNTJVJSUNSUMPP-UHFFFAOYSA-N
Summenformel: C10H10
Durchschnittliche Molmasse: 130,19 g/mol
Monoisotopische Masse: 130,07825032

Namen und Bezeichner

Bevorzugter Name: 1-Ethyl-4-ethynylbenzene
IUPAC: 1-ethyl-4-ethynylbenzene
Englischer Name: 4-Ethylphenylacetylene
Summenformel: C10H10
Molmasse: 130.19

Namen und Synonyme

1-ethyl-4-ethynylbenzene40307-11-7Benzene, 1-ethyl-4-ethynyl-DTXSID001933201-ETHYL,4-ETHYNYL-BENZENE4-ethylphenyl acetyleneRefChem:75753DTXCID10115811609-817-2InChI=1/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H4-Ethylphenylacetylene1-ETHYL-4-ETH-1-YNYLBENZENE

Weitere Namen anzeigen

CH3CH2C6H4C≡CH4-Ethylethynylbenzene4-Ethylpenylacetylenep-Ethylethynylbenzene4-Ethylphenylacetylene97%4-Ethylphenylacetylene 97%

MFCD00173887P-ETHYLPHENYLACETYLENE1-Ethyl-4-ethynyl-Benzene4-ethyl-1-ethynylbenzeneEthyl-4-ethynylbenzeneSCHEMBL455457SCHEMBL457760SCHEMBL935811

Datenbank-Bezeichner

CAS: 40307-11-7
PubChem CID: 142425
DTXSID: DTXSID00193320
EC Number: 609-817-2
Nikkaji: J1.737.380C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Siedepunkt: 30 °C/0.05 · 30 °C/0.05 mmHg (lit.)
Dichte: 0.93 g/mL · 0.930 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5420(lit.)
Flammpunkt: 160 °F · 160 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
InChI: 1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H3
InChIKey: ZNTJVJSUNSUMPP-UHFFFAOYSA-N
SMILES: CCc1ccc(cc1)C#C
CAS Datenbank: 40307 · 40307-11-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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.