2,4-Bis(trifluoromethyl)benzyl bromide
Grundinformationen
- CAS
140690-56-8- Standard-SMILES
FC(F)(F)c1ccc(CBr)c(C(F)(F)F)c1- InChIKey
SWFFFUJOWAJJCH-UHFFFAOYSA-N- Summenformel
- C9H5BrF6
- Durchschnittliche Molmasse
- 307,03 g/mol
- Monoisotopische Masse
- 305,94788
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Bis(trifluoromethyl)benzyl bromide
- IUPAC
- 1-(bromomethyl)-2,4-bis(trifluoromethyl)benzene
- Englischer Name
- 2,4-Bis(trifluoromethyl)benzyl bromide
- Summenformel
- C9H5BrF6
- Molmasse
- 307.03
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
140690-56-8- PubChem CID
- 518871
- DTXSID
DTXSID90333839- EC Number
- 628-148-7
- Nikkaji
- J2.652.113K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 233
Physikochemische Eigenschaften
- Siedepunkt
- 112 °C · 112°C 0,2mm
- Dichte
- 1.637 g/mL · 1.637 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.451(lit.)
- Flammpunkt
- 130 °F · 130 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- Liquid
- Wichte
- 1.637 · 1.637
- Farbe
- Clear colorless to pale yellow
- BRN
- 7995492 · 7995492
- InChI
- 1S/C9H5BrF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
- InChIKey
- SWFFFUJOWAJJCH-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccc(CBr)c(c1)C(F)(F)F
- CAS Datenbank
- 140690 · 140690-56-8(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2,4-Bis(trifluoromethyl)benzyl bromide(140690-56-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (88.6%): Flammable liquid and vapor [Warning Flammable liquids];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 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
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29039990
- risk_code
- 10-34
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 16-26-27-36/37/39-45
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
Chemie und Industrie
Anwendungen
Verwenden2,4-Bis(trifluoromethyl)benzyl bromide may be used in chemical synthesis studies.
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