4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzyl Alcohol
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Grundinformationen
- CAS
87736-88-7- Standard-SMILES
OCc1ccc(C2(C(F)(F)F)N=N2)cc1- InChIKey
UZHHTEASLDJYBO-UHFFFAOYSA-N- Summenformel
- C9H7F3N2O
- Durchschnittliche Molmasse
- 216,16 g/mol
- Monoisotopische Masse
- 216,05104734
Namen und Bezeichner
- Bevorzugter Name
- 4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzyl Alcohol
- IUPAC
- [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol
- Englischer Name
- 4-[3-(TrifluoroMethyl)-3H-diazirin-3-yl]benzyl Alcohol
- Summenformel
- C9H7F3N2O
- Molmasse
- 216.16
Namen und Synonyme
4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzyl AlcoholRefChem:513011805-909-387736-88-7[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)methanolMFCD19442582{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}methanolCF3-Diazirine-Bn-OHBenzenemethanol, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-CHEMBL4741515
Weitere Namen anzeigen
4-CF3-diazirine-benzyl alcoholBenzeneMethanol,4-[3-(trifluoroMethyl)-3H-diazirin-3-yl]-3-[4-(Hydroxymethyl)phenyl]-3-(trifluoromethyl)-3H-diazirine
4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]-benzenemethanol[4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]phenyl]methanolBVF7RFE6SASCHEMBL9926394-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzylAlcoholDTXSID60463733BDBM50551940AKOS025402683
Datenbank-Bezeichner
- CAS
87736-88-7- PubChem CID
- 11367905
- DTXSID
DTXSID60463733- ChEMBL
CHEMBL4741515- UNII
- BVF7RFE6SA
- EC Number
- 805-909-3
- Nikkaji
- J662.296H
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 45 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 263
Physikochemische Eigenschaften
- Siedepunkt
- 269.2 · 269.2±50.0 °C(Predicted)
- Dichte
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- Brechungsindex
- 1.477 to · 1.4770 to 1.4810
- storage temp.
- 2 · 2-8°C(protect from light)
- Löslichkeit
- Dichloromethane, Diethyl Ether, Methanol
- Aggregatzustand
- Oil
- pka
- 14.3 · 14.30±0.10(Predicted)
- Farbe
- Yellow
- InChI
- InChI=1S/C9H7F3N2O/c10-9(11,12)8(13-14-8)7-3-1-6(5-15)2-4-7/h1-4,15H,5H2
- InChIKey
- UZHHTEASLDJYBO-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC=C(C2(C(F)(F)F)N=N2)C=C1
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)
Sicherheitsdaten
- hs_code
- 2933.99.8290
Chemie und Industrie
Anwendungen
Verwenden4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol is a photoaffinity reagent. Photo-induced crosslinking reagent.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
2
Notizen zur Verbindung
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