3,5-Dimethylisoxazole-4-isocyanate

HCID 2736266

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Grundinformationen

CAS: 131825-41-7
Standard-SMILES: Cc1noc(C)c1N=C=O
InChIKey: JJQYAGYVYNMYGE-UHFFFAOYSA-N
Summenformel: C6H6N2O2
Durchschnittliche Molmasse: 138,12 g/mol
Monoisotopische Masse: 138,04292743

Namen und Bezeichner

Bevorzugter Name: 3,5-Dimethylisoxazole-4-isocyanate
IUPAC: 4-isocyanato-3,5-dimethyl-1,2-oxazole
Englischer Name: 3,5-Dimethylisoxazol-4-yl isocyanate
Summenformel: C6H6N2O2
Molmasse: 138.12

Namen und Synonyme

3,5-Dimethylisoxazole-4-isocyanateRefChem:487039641-351-5131825-41-73,5-Dimethylisoxazol-4-yl isocyanate4-isocyanato-3,5-dimethyl-1,2-oxazole4-isocyanato-3,5-dimethylisoxazole3,5-Dimethylisoxazol-4-ylisocyanateMFCD001199103,5-dimethylisoxazole-4-yl isocyanateIsoxazole, 4-isocyanato-3,5-dimethyl-4-isocyanato-3,5-dimethyl-isoxazole

Weitere Namen anzeigen

BUTTPARK 154\15-634-Isocyanoto-3,5-dimethyl-isoxazole3,5-Dimethylisoxazole-4-ylisocyanate3,5-Dimethylisoxazole-4-isocyanate 97%3,5-Dimethylisoxazole-4-ylisocyanate97%

Isoxazole,4-isocyanato-3,5-dimethyl-3,5-Dimethyl-4-isocyanatoisoxazole3,5-dimethyl isoxazol-4-yl isocyanate3,5-Dimethyl-4-isocyanato-1,2-oxazoleSCHEMBL635055DTXSID603712433,5-dimethylisoxazol-4-isocyanate4-isocyanato3,5-dimethyl-isoxazole

Datenbank-Bezeichner

CAS: 131825-41-7
PubChem CID: 2736266
DTXSID: DTXSID60371243
EC Number: 641-351-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 55,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 165

Physikochemische Eigenschaften

Siedepunkt: 96 · 96-98°C 15mm

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.