Grundinformationen
- Standard-SMILES
CC(C)Oc1ccc(CCl)cc1C#N- InChIKey
OGOCEJJFFRRIEG-UHFFFAOYSA-N- Summenformel
- C11H12ClNO
- Durchschnittliche Molmasse
- 209,67 g/mol
- Monoisotopische Masse
- 209,0607417
Namen und Bezeichner
- Bevorzugter Name
- 5-(Chloromethyl)-2-(propan-2-yloxy)benzonitrile
- IUPAC
- 5-(chloromethyl)-2-propan-2-yloxybenzonitrile
Namen und Synonyme
1206124-23-35-(Chloromethyl)-2-(propan-2-yloxy)benzonitrileRefChem:530956971-828-65-(Chloromethyl)-2-isopropoxybenzonitrileSCHEMBL932494OGOCEJJFFRRIEG-UHFFFAOYSA-NDB-196122
Datenbank-Bezeichner
- CAS
1206124-23-3- PubChem CID
- 66847703
- EC Number
- 971-828-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 33 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 221
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/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]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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 Corr. 1B (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
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