Grundinformationen
- CAS
5683-43-2- Standard-SMILES
Cc1nc2ccc([N+](=O)[O-])cc2o1- InChIKey
DPVZLXWUFYMLBK-UHFFFAOYSA-N- Summenformel
- C8H6N2O3
- Durchschnittliche Molmasse
- 178,14 g/mol
- Monoisotopische Masse
- 178,03784206
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-6-nitrobenzoxazole
- IUPAC
- 2-methyl-6-nitro-1,3-benzoxazole
- Lokaler Name
- 2-Methyl-6-nitrobenzoxazol
- Englischer Name
- 2-Methyl-6-nitrobenzoxazole
- Summenformel
- C8H6N2O3
- Molmasse
- 178.14
Namen und Synonyme
2-Methyl-6-nitrobenzoxazole5683-43-2EINECS 227-149-6DTXSID30205369RefChem:475816DTXCID80127860227-149-62-methyl-6-nitro-1,3-benzoxazoleMFCD00022848benzoxazole, 2-methyl-6-nitro-2-methyl-6-nitro-benzoxazole2-methyl-6-nitrobenzo[d]oxazole
Weitere Namen anzeigen
Oprea1_395144SCHEMBL2062399SCHEMBL9320505ALBB-014681SBB059264STL377262AKOS002303444PB43079
Datenbank-Bezeichner
- CAS
5683-43-2- PubChem CID
- 79766
- DTXSID
DTXSID30205369- EC Number
- 227-149-6
- Nikkaji
- J24.448A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 71,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 216
Physikochemische Eigenschaften
- Schmelzpunkt
- 157 · 157-158°C
- Siedepunkt
- 303.1 · 303.1±15.0 °C(Predicted)
- Dichte
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.45 · -1.45±0.30(Predicted)
- Wasserlöslichkeit
- Soluble in oils. Insoluble in water.
- CAS Datenbank
- 5683 · 5683-43-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (90.7%)；Eye Dam. 1 (90.7%)
Sicherheitsdaten
- hs_code
- 2934999090
- risk_code
- 20/21/22-36/37/38
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Verwenden2-Methyl-6-nitrobenzoxazole is used as a flavoring agents.
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