Grundinformationen
- Standard-SMILES
O=c1[nH]c2cc(F)c(F)cc2o1- InChIKey
FHIXRLXLYMWKKM-UHFFFAOYSA-N- Summenformel
- C7H3F2NO2
- Durchschnittliche Molmasse
- 171,1 g/mol
- Monoisotopische Masse
- 171,01318466
Namen und Bezeichner
- Bevorzugter Name
- 5,6-difluorobenzo[d]oxazol-2(3H)-one
- IUPAC
- 5,6-difluoro-3H-1,3-benzoxazol-2-one
Namen und Synonyme
5,6-difluorobenzo[d]oxazol-2(3H)-one871367-13-45,6-difluoro-3H-benzooxazol-2-oneSCHEMBL2549381FHIXRLXLYMWKKM-UHFFFAOYSA-N5,6-difluoro-3H-benzoxazol-2-one
Datenbank-Bezeichner
- CAS
871367-13-4- PubChem CID
- 11535637
- EC Number
- 118-781-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 212
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
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