5-(P-Tolyl)isoxazole

HCID 270015

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 7064-35-9
Standard-SMILES: Cc1ccc(-c2ccno2)cc1
InChIKey: BJVLLTZZYAWHGW-UHFFFAOYSA-N
Summenformel: C10H9NO
Durchschnittliche Molmasse: 159,18 g/mol
Monoisotopische Masse: 159,06841391

Namen und Bezeichner

Bevorzugter Name: 5-(P-Tolyl)isoxazole
IUPAC: 5-(4-methylphenyl)-1,2-oxazole
Englischer Name: 5-(4-Methylphenyl)isoxazole
Summenformel: C10H9NO
Molmasse: 159.18

Namen und Synonyme

5-(p-Tolyl)isoxazoleRefChem:531480663-165-35-(4-methylphenyl)isoxazole7064-35-95-(4-methylphenyl)-1,2-oxazole5-p-TolylisoxazoleMFCD000305205-(4-methyl-phenyl)-isoxazole5-(p-tolyl)-isoxazoleNSC1119185-(4-methylphenyl)-isoxazole

Weitere Namen anzeigen

5-(p-Tolyl)5-(paramethylphenyl)isoazoleIsoxazole, 5-(4-methylphenyl)-Isoxazole, 5-(4-methylphenyl)- (9CI)5-(4-Methylphenyl)-1,2-oxazole, 4-(1,2-Oxazol-5-yl)toluene, 4-(Isoxazol-5-yl)toluene

SCHEMBL2556889DTXSID90296834SCHEMBL2307587SCHEMBL2842410SCHEMBL8922910BJVLLTZZYAWHGW-UHFFFAOYSA-N5-(4-methyl-phenyl)-1,2-oxazoleSBB087370

Datenbank-Bezeichner

CAS: 7064-35-9
PubChem CID: 270015
DTXSID: DTXSID90296834
EC Number: 663-165-3
Nikkaji: J3.289.468B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Schmelzpunkt: 60 °C · 60 °C
Siedepunkt: 290 · 290.0±9.0 °C(Predicted)
Dichte: 1.082 · 1.082±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: -2.92 · -2.92±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 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.