CAS 53257-32-2 4-(Bromomethyl)-3,5-dimethyl-1,2-oxazole (HCID 12793289)

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Grundinformationen

CAS: 53257-32-2
Standard-SMILES: Cc1noc(C)c1CBr
InChIKey: OQWAOAIUESMDOS-UHFFFAOYSA-N
Summenformel: C6H8BrNO
Durchschnittliche Molmasse: 190,04 g/mol
Monoisotopische Masse: 188,97893

Namen und Bezeichner

Bevorzugter Name: 4-(Bromomethyl)-3,5-dimethyl-1,2-oxazole
IUPAC: 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole
Englischer Name: 4-(Bromomethyl)-3,5-dimethylisoxazole
Summenformel: C6H8BrNO
Molmasse: 190.04

Namen und Synonyme

53257-32-24-(bromomethyl)-3,5-dimethyl-1,2-oxazoleDTXSID10510049RefChem:288615DTXCID90460856817-614-74-(BROMOMETHYL)-3,5-DIMETHYLISOXAZOLESCHEMBL628844OQWAOAIUESMDOS-UHFFFAOYSA-NDCA25732MFCD02677719AKOS006276918

Weitere Namen anzeigen

Isoxazole, 4-(bromomethyl)-3,5-dimethyl-

DA-18087EN300-194084G814414-(Bromomethyl)-3,5-dimethylisoxazole, AldrichCPR

Datenbank-Bezeichner

CAS: 53257-32-2
PubChem CID: 12793289
DTXSID: DTXSID10510049
EC Number: 108-523-7、817-614-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 99

Physikochemische Eigenschaften

Siedepunkt: 248.7 · 248.7±35.0 °C(Predicted)
Dichte: 1.49 · 1.490±0.06 g/cm3(Predicted)
pka: -1.79 · -1.79±0.28(Predicted)
Aggregatzustand: solid
InChI: 1S/C6H8BrNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
InChIKey: OQWAOAIUESMDOS-UHFFFAOYSA-N
SMILES: Cc1noc(C)c1CBr

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): 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]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.