CAS 14731-10-3 3-(Chloromethyl)-5-phenyl-1,2-oxazole (HCID 1484769)

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Grundinformationen

CAS: 14731-10-3
Standard-SMILES: ClCc1cc(-c2ccccc2)on1
InChIKey: MLJJRVMANUGETQ-UHFFFAOYSA-N
Summenformel: C10H8ClNO
Durchschnittliche Molmasse: 193,63 g/mol
Monoisotopische Masse: 193,0294416

Namen und Bezeichner

Bevorzugter Name: 3-(Chloromethyl)-5-phenyl-1,2-oxazole
IUPAC: 3-(chloromethyl)-5-phenyl-1,2-oxazole
Englischer Name: 3-(CHLOROMETHYL)-5-PHENYLISOXAZOLE
Summenformel: C10H8ClNO
Molmasse: 193.63

Namen und Synonyme

3-(chloromethyl)-5-phenyl-1,2-oxazoleRefChem:494662827-004-23-(chloromethyl)-5-phenylisoxazole14731-10-3Isoxazole, 3-(chloromethyl)-5-phenyl-MFCD01444154Bionet2_000543SCHEMBL14374863-Chloromethyl-5-phenylisoxazoleDTXSID90363313MLJJRVMANUGETQ-UHFFFAOYSA-N

Weitere Namen anzeigen

Isoxazole,3-(chloroMethyl)-5-phenyl-3-(Chloromethyl)-5-phenylisoxazole 97%

HMS1365I155-phenyl-3-(chloromethyl)isoxazolePAA731103-(chloromethyl)-5-phenyl-isoxazoleSBB091637AKOS0011075787N-651SSY152062

Datenbank-Bezeichner

CAS: 14731-10-3
PubChem CID: 1484769
DTXSID: DTXSID90363313
EC Number: 827-004-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Schmelzpunkt: 48 · 48-49.5
Siedepunkt: 337.6 · 337.6±27.0 °C(Predicted)
Dichte: 1.222 · 1.222±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: crystalline solid
pka: -4.04 · -4.04±0.28(Predicted)
Farbe: Brown
CAS Datenbank: 14731 · 14731-10-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.