Grundinformationen
- Standard-SMILES
ClCc1noc(-c2ccccc2)n1- InChIKey
VEIXFEJMHJPUBS-UHFFFAOYSA-N- Summenformel
- C9H7ClN2O
- Durchschnittliche Molmasse
- 194,62 g/mol
- Monoisotopische Masse
- 194,02469052
Namen und Bezeichner
- Bevorzugter Name
- 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
- IUPAC
- 3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole
- Englischer Name
- 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
- Summenformel
- C9H7ClN2O
- Molmasse
- 194.62
Namen und Synonyme
3-(chloromethyl)-5-phenyl-1,2,4-oxadiazoleDTXSID50306988RefChem:494661DTXCID50258115673-111-01201-68-93-chloromethyl-5-phenyl-1,2,4-oxadiazoleMFCD000849681,2,4-Oxadiazole, 3-(chloromethyl)-5-phenyl-3-chloromethyl-5-phenyl-[1,2,4]oxadiazoleNSC184821SCHEMBL120396
Weitere Namen anzeigen
BUTTPARK 37\08-30TIMTEC-BB SBB0055933-(CHLOROMETHYL)-5-PHENYL-1,2,4-OXADIAZOLE 98%3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole, tech
VEIXFEJMHJPUBS-UHFFFAOYSA-NSTR07631SBB005593AKOS001200123AB03171NSC-184821BP-20297SY004297
Datenbank-Bezeichner
- CAS
1201-68-9- PubChem CID
- 302154
- DTXSID
DTXSID50306988- EC Number
- 673-111-0
- Nikkaji
- J1.859.732B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 38,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 162
Physikochemische Eigenschaften
- Schmelzpunkt
- 64 °C · 64 °C
- Siedepunkt
- 316.9 · 316.9±44.0 °C(Predicted)
- Dichte
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- -2 · -2+-.0.32(Predicted)
- CAS Datenbank
- 1201 · 1201-68-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (95%)
Sicherheitsdaten
- hs_code
- 2934999090
- risk_code
- 36/37/38-34-22
- hazard_code
- C,Xn
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
Chemie und Industrie
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