5-(Bromomethyl)-1,2-oxazole

HCID 10034903

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Grundinformationen

CAS: 69735-35-9
Standard-SMILES: BrCc1ccno1
InChIKey: DKBISLDZVNXIFT-UHFFFAOYSA-N
Summenformel: C4H4BrNO
Durchschnittliche Molmasse: 161,98 g/mol
Monoisotopische Masse: 160,94763

Namen und Bezeichner

Bevorzugter Name: 5-(Bromomethyl)-1,2-oxazole
IUPAC: 5-(bromomethyl)-1,2-oxazole
Englischer Name: 5-Bromomethyl-isoxazole
Summenformel: C4H4BrNO
Molmasse: 161.98

Namen und Synonyme

5-(bromomethyl)-1,2-oxazoleRefChem:530808815-476-25-(Bromomethyl)isoxazole69735-35-95-BROMOMETHYL-ISOXAZOLEMFCD086695175-BROMOMETHYLISOXAZOLEIsoxazole, 5-(bromomethyl)-Isoxazole, 5-(bromomethyl)- (9CI)5-bromomethyl isoxazole5-(Bromomethyl);isoxazole

Weitere Namen anzeigen

40013 1 380,-

SCHEMBL918053DTXSID80434445DKBISLDZVNXIFT-UHFFFAOYSA-NCS-D02115-(Bromomethyl)isoxazole, AldrichCPRAKOS006238586SB38364BS-12754

Datenbank-Bezeichner

CAS: 69735-35-9
PubChem CID: 10034903
DTXSID: DTXSID80434445
EC Number: 815-476-2
Nikkaji: J1.446.116G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 59

Physikochemische Eigenschaften

Siedepunkt: 58 · 58-62 °C(Press: 0.5 Torr)
Dichte: 1.706 · 1.706±0.06 g/cm3(Predicted)
pka: -2.63 · -2.63±0.50(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.