3-Benzyloxy-5-(Trifluoromethyl)Pyridine
Grundinformationen
- CAS
186593-13-5- Standard-SMILES
FC(F)(F)c1cncc(OCc2ccccc2)c1- InChIKey
OXCFWRVTTLSOGH-UHFFFAOYSA-N- Summenformel
- C13H10F3NO
- Durchschnittliche Molmasse
- 253,22 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 3-Benzyloxy-5-(Trifluoromethyl)Pyridine
- IUPAC
- 3-phenylmethoxy-5-(trifluoromethyl)pyridine
- Englischer Name
- 3-Benzyloxy-5-(trifluoromethyl)pyridine
- Summenformel
- C13H10F3NO
- Molmasse
- 253.22
Namen und Synonyme
3-Benzyloxy-5-(trifluoromethyl)pyridine186593-13-5RefChem:498057109-208-7944-768-33-(benzyloxy)-5-(trifluoromethyl)pyridineMFCD183848323-phenylmethoxy-5-(trifluoromethyl)pyridine3-benzyloxy-5-trifluoromethyl-pyridineSCHEMBL8753733-benzyloxy-5-trifluoromethylpyridineAKOS005259222
Weitere Namen anzeigen
3-(Phenylmethoxy)-5-(trifluoromethyl)pyridinePyridine, 3-(phenylmethoxy)-5-(trifluoromethyl)-
MS-20469DB-203831G624133-Benzyloxy-5-(trifluoromethyl)pyridine, AldrichCPR
Datenbank-Bezeichner
- CAS
186593-13-5- PubChem CID
- 21851825
- EC Number
- 109-208-7、944-768-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 22,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 251
Physikochemische Eigenschaften
- Siedepunkt
- 318.8 · 318.8±42.0 °C(Predicted)
- Dichte
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 1.98 · 1.98±0.10(Predicted)
- Aggregatzustand
- solid
- InChI
- 1S/C13H10F3NO/c14-13(15,16)11-6-12(8-17-7-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2
- InChIKey
- OXCFWRVTTLSOGH-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cncc(c1)OCc2ccccc2
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, 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.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Gefahrenhinweise
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute Tox. 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- risk_code
- 43
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralSkin Sens. 1
Chemie und Industrie
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