2-Fluoro-5-(trifluoromethyl)phenol
Grundinformationen
- CAS
141483-15-0- Standard-SMILES
Oc1cc(C(F)(F)F)ccc1F- InChIKey
MCOSBFKOUQAIJS-UHFFFAOYSA-N- Summenformel
- C7H4F4O
- Durchschnittliche Molmasse
- 180,1 g/mol
- Monoisotopische Masse
- 180,01982763
Namen und Bezeichner
- Bevorzugter Name
- 2-Fluoro-5-(trifluoromethyl)phenol
- IUPAC
- 2-fluoro-5-(trifluoromethyl)phenol
- Englischer Name
- 2-Fluoro-5-(trifluoromethyl)phenol
- Summenformel
- C7H4F4O
- Molmasse
- 180.1
Namen und Synonyme
2-Fluoro-5-(trifluoromethyl)phenol141483-15-0DTXSID20333842RefChem:87095DTXCID30284932626-640-6MCOSBFKOUQAIJS-UHFFFAOYSA-N2-fluoro-5-trifluoromethylphenolPhenol, 2-fluoro-5-(trifluoromethyl)-MFCD000612864-Fluoro-3-hydroxybenzotrifluorideSCHEMBL104056
Weitere Namen anzeigen
2-Fluoro-5-(trifluorà,à,à,6-tetrafluoro-m-cresol2-Fluoro-5-(trifuoroMethyl)phenol2-Fluoro-5-(trifluoromethyl)phenol>2-Fluoro-5-(trifluoromethyl)phenol98%2-Fluoro-5-(trifluoromethyl)phenol 98%alpha,alpha,alpha,6-Tetrafluoro-m-cresol
SCHEMBL34590722-Fluoro-5-trifluoromethyl-phenol5-(trifluoromethyl)-2-fluorophenolSBB089622AKOS005258020AC-3811CS-W017229DS-0822
Datenbank-Bezeichner
- CAS
141483-15-0- PubChem CID
- 518888
- DTXSID
DTXSID20333842- EC Number
- 626-640-6
- Nikkaji
- J710.501K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 156
Physikochemische Eigenschaften
- Siedepunkt
- 146 °C · 146 °C(lit.)
- Dichte
- 1.436 g/mL · 1.436 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.439(lit.)
- Flammpunkt
- 135 °F · 135 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.7 · 7.70±0.10(Predicted)
- Aggregatzustand
- Liquid
- Wichte
- 1.436 · 1.436
- Farbe
- Clear colorless to orange
- BRN
- 8392138 · 8392138
- InChI
- 1S/C7H4F4O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
- InChIKey
- MCOSBFKOUQAIJS-UHFFFAOYSA-N
- SMILES
- Oc1cc(ccc1F)C(F)(F)F
- CAS Datenbank
- 141483 · 141483-15-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29081990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,T
- hazard_note
- Toxic
- safety_code
- 26-36
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
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