Grundinformationen
- Standard-SMILES
CCOP(=O)(Cc1cccc(Br)c1)OCC- InChIKey
KVNNRCDDRDXWIW-UHFFFAOYSA-N- Summenformel
- C11H16BrO3P
- Durchschnittliche Molmasse
- 307,12 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Diethyl 3-Bromobenzylphosphonate
- IUPAC
- 1-bromo-3-(diethoxyphosphorylmethyl)benzene
- Englischer Name
- Diethyl 3-bromobenzylphosphonate
- Summenformel
- C11H16BrO3P
- Molmasse
- 307.12
Namen und Synonyme
Diethyl 3-Bromobenzylphosphonate128833-03-41-bromo-3-(diethoxyphosphorylmethyl)benzeneMFCD07772009calcium-l-lactate hydratePhosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl esterdiethyl [(3-bromophenyl)methyl]phosphonateDiethyl (3-bromobenzyl)phosphonateDiethyl m-bromobenzylphosphonateDiethyl3-BromobeDiethyl3-BromobenzylphosphonateSCHEMBL1307260
Weitere Namen anzeigen
Diethyl 3-bromobenzylphosphonate 97%Diethyl P-[(3-bromophenyl)methyl]phosphonate[(3-Bromophenyl)methyl]phosphonic acid diethyl esterPhosphonic acid, [(3-broMophenyl)Methyl]-, diethyl ester
SCHEMBL29426944KVNNRCDDRDXWIW-UHFFFAOYSA-NAC3665AKOS005068247Diethyl 3-bromobenzylphosphonate, 97%AS-70718Diethyl[(3-bromophenyl)methyl]phosphonateSY021229
Datenbank-Bezeichner
- CAS
128833-03-4- PubChem CID
- 10979718
- EC Number
- 802-998-0
- Nikkaji
- J3.796.689D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 237
Physikochemische Eigenschaften
- Siedepunkt
- 376 · 376.0±25.0 °C(Predicted)
- Dichte
- 1.343 g/mL · 1.343 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D1.523
- Flammpunkt
- 110 ℃ · >110℃
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- liquid
- InChI
- 1S/C11H16BrO3P/c1-3-14-16(13,15-4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
- InChIKey
- KVNNRCDDRDXWIW-UHFFFAOYSA-N
- SMILES
- CCOP(=O)(Cc1cccc(Br)c1)OCC
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2931599090
- risk_code
- 22
- hazard_code
- Xn
- Speicherklasse
- 13 - Non Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Anwendungen
VerwendenDiethyl 3-Bromobenzylphosphonate acts as a regent in the conversion of benzylic and allylic alcohols to phosphonates.
Anbieter29 Anbieter
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