4-Ethynyl-1-fluoro-2-methylbenzene

HCID 16213797CAS 351002-93-2

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Grundinformationen

Standard-SMILES: C#Cc1ccc(F)c(C)c1
InChIKey: GSGKOWLZNQXGAI-UHFFFAOYSA-N
Summenformel: C9H7F
Durchschnittliche Molmasse: 134,15 g/mol
Monoisotopische Masse: 134,05317839

Namen und Bezeichner

Bevorzugter Name: 4-Ethynyl-1-fluoro-2-methylbenzene
IUPAC: 4-ethynyl-1-fluoro-2-methylbenzene
Englischer Name: 4-Ethynyl-1-fluoro-2-methylbenzene 97
Summenformel: C9H7F
Molmasse: 134.15

Namen und Synonyme

4-Ethynyl-1-fluoro-2-methylbenzene351002-93-2DTXSID30584121RefChem:98928DTXCID10534886625-006-6MFCD062006824-ethynyl-1-fluoro-2-methyl-Benzene4-Ethynyl-1-fluoro-2-methylbenzene, 97%2-AMINO-2-(1-METHYLCYCLOPROPYL)PROPIONICACIDSCHEMBL1477519SCHEMBL9996657

Weitere Namen anzeigen

Benzene, 4-ethynyl-1-fluoro-2-Methyl-4-Ethynyl-1-fluoro-2-methylbenzene 974-Ethynyl-1-fluoro-2-methylbenzene 97%Benzene, 4-ethynyl-1-fluoro-2-methyl- (9CI)

1-Ethynyl-4-fluoro-3-methyl-benzeneAKOS010651630AS-86852SY508548CS-0225238F71968J-0198EN300-1231826

Datenbank-Bezeichner

CAS: 351002-93-2
PubChem CID: 16213797
DTXSID: DTXSID30584121
EC Number: 625-006-6
Nikkaji: J2.320.696J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 153

Physikochemische Eigenschaften

Siedepunkt: 169 · 169-170 °C (lit.)
Dichte: 1.007 g/mL · 1.007 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5210(lit.)
Flammpunkt: 100 °F · 100 °F
storage temp.: 2 · 2-8°C
InChI: 1S/C9H7F/c1-3-8-4-5-9(10)7(2)6-8/h1,4-6H,2H3
InChIKey: GSGKOWLZNQXGAI-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1F)C#C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 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.