2-(Bromomethyl)-5-(trifluoromethyl)furan

HCID 2794605

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Grundinformationen

CAS: 17515-77-4
Standard-SMILES: FC(F)(F)c1ccc(CBr)o1
InChIKey: YNHVBNGRNNVEMD-UHFFFAOYSA-N
Summenformel: C6H4BrF3O
Durchschnittliche Molmasse: 228,99 g/mol
Monoisotopische Masse: 227,93976151

Namen und Bezeichner

Bevorzugter Name: 2-(Bromomethyl)-5-(trifluoromethyl)furan
IUPAC: 2-(bromomethyl)-5-(trifluoromethyl)furan
Englischer Name: 2-(Bromomethyl)-5-(trifluoromethyl)furan
Summenformel: C6H4BrF3O
Molmasse: 228.99

Namen und Synonyme

2-(bromomethyl)-5-(trifluoromethyl)furan17515-77-4DTXSID70383251RefChem:253352DTXCID40334275695-392-9Furan, 2-(bromomethyl)-5-(trifluoromethyl)-MFCD03086219SCHEMBL2451292-bromomethyl-5-(trifloromethyl)furanCS-W005242SY059454

Weitere Namen anzeigen

2-(Bromomethyl)-5-(trifluoromethyl)furaneFuran,2-(broMoMethyl)-5-(trifluoroMethyl)-2-(Bromomethyl)-5-(trifluoromethyl)furan97%2-(Bromomethyl)-5-(trifluoromethyl)furan 97%

2-(bromomethyl)-5-(trifluoromethyl)furan, AldrichCPR2-(bromomethyl)-5-(trifluoromethyl)-furan2-(Bromomethyl)-5-(trifluoromethyl)furan (ACI)2-bromomethyl-5-trifluoromethylfuran2-bromomethyl-5-(trifluoromethyl)furanA26868A8118065-(trifluoromethyl)furfuryl bromide

Datenbank-Bezeichner

CAS: 17515-77-4
PubChem CID: 2794605
DTXSID: DTXSID70383251
EC Number: 695-392-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 13,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Siedepunkt: 38 °C · 38 °C
Dichte: 1.693 · 1.693±0.06 g/cm3(Predicted)
Brechungsindex: 1.45 · 1.45
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Oil
Farbe: Clear Colourless
InChI: InChI=1S/C6H4BrF3O/c7-3-4-1-2-5(11-4)6(8,9)10/h1-2H,3H2
InChIKey: YNHVBNGRNNVEMD-UHFFFAOYSA-N
SMILES: O1C(C(F)(F)F)=CC=C1CBr

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (20%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (20%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 1760
hs_code: 2932190090
risk_code: 34-36/37/38-43
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-36/37
hazard_class: 8
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1