Bromodifluoromethyl diethylphosphonate (HCID 144101)

Namen und Bezeichner

Bevorzugter Name: Bromodifluoromethyl diethylphosphonate
IUPAC: 1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane
Englischer Name: Diethyl bromodifluoromethanephosphonate
Summenformel: C5H10BrF2O3P
Molmasse: 267.01

Namen und Synonyme

65094-22-6Diethyl (bromodifluoromethyl)phosphonateBromodifluoromethyl diethylphosphonateDTXSID40215398RefChem:570343DTXCID40137889671-628-6diethyl bromodifluoromethanephosphonatediethyl bromodifluoromethylphosphonateMFCD000691181-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethaneC5H10BrF2O3P

Weitere Namen anzeigen

Diethyl P-(bromodifluoromethyl)phosphonateDiethyl bromodifluoromethanephosphonatBROMODIFLUOROMETHANE DIETHYL PHOSPHATEBromodifluoromethyldiethylphosphonate97%Bromodifluoromethyl diethylphosphonate 97%Diethyl (Bromodifluoromethyl)phosphonate >Diethyl [bromo(difluoro)methyl]phosphonate 97%

(bromodifluoromethyl)phosphonic acid diethyl ester1-[[bromo(difluoro)methyl]-ethoxy-phosphoryl]oxyethanediethyl(bromodifluoromethyl)phosphonate(bromo-difluoro-methyl)-phosphonic acid diethyl esterP-(Bromodifluoromethyl)phosphonic Acid Diethyl Ester; (Bromodifluoromethyl)phosphonic Acid Diethyl Ester;Phosphonic acid, (bromodifluoromethyl)-, diethyl esterSCHEMBL263167CHEMBL5181377

Datenbank-Bezeichner

CAS: 65094-22-6
PubChem CID: 144101
DTXSID: DTXSID40215398
ChEMBL: CHEMBL5181377
EC Number: 671-628-6
Nikkaji: J519.139D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 5
Schwere Atome: 12
Formalladung: 0
Komplexität: 178

Physikochemische Eigenschaften

Siedepunkt: 40 · 40-41 °C/0.05 mmHg (lit.)
Dichte: 1.503 g/mL · 1.503 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.417(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: liquid
Wichte: 1.503 · 1.503
Farbe: colorless
Wasserlöslichkeit: Not miscible or difficult to mix in water.
BRN: 1944045 · 1944045
InChI: InChI=1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKey: QRADKVYIJIAENZ-UHFFFAOYSA-N
SMILES: P(=O)(OCC)(OCC)C(F)(F)Br
CAS Datenbank: 65094 · 65094-22-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (54.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 7 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (54.5%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: 3278
hs_code: 29319090
risk_code: 21/22-36/38-38-36
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-60-37-23
hazard_class: IRRITANT, IRRITANT-HARMFUL
packing_group: III
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

VerwendenEfficient difluoroalkylation of aryl boronic acids via palladium catalysis. Novel, moisture-stable bromodifluoromethylated phosphonate, ester, and amide. Efficient coupling with aryl boronic acids via Pd catalysis.