Diethyl (3-bromopropyl)phosphonate

HCID 283500CAS 1186-10-3

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Grundinformationen

Standard-SMILES: CCOP(=O)(CCCBr)OCC
InChIKey: PEIKTSJIUKYDPC-UHFFFAOYSA-N
Summenformel: C7H16BrO3P
Durchschnittliche Molmasse: 259,08 g/mol
Monoisotopische Masse: 258,00204

Namen und Bezeichner

Bevorzugter Name: Diethyl (3-bromopropyl)phosphonate
IUPAC: 1-bromo-3-diethoxyphosphorylpropane
Englischer Name: Diethyl(3-bromopropyl)phosphonate
Summenformel: C7H16BrO3P
Molmasse: 259.08

Namen und Synonyme

diethyl (3-bromopropyl)phosphonateRefChem:587016805-814-71186-10-3Diethyl 3-BromopropylphosphonateDiethyl(3-bromopropyl)phosphonate1-bromo-3-diethoxyphosphorylpropaneMFCD00800966(3-Bromopropyl)phosphonic acid diethyl esterNSC 1383451-bromo-3-diethoxyphosphoryl-propaneC7H16BrO3P

Weitere Namen anzeigen

phosphonateDiethyl (3-bromoprop-1-yl)phosphonateDiethyl (3-bromopropyl)DIETHOXY 3-BROMOPROPYLPHOSPHINEDiethyl(3-Bromopropyl)phosphonate>

diethyl 3-bromopropanphosphonateCS-W012527AS-10528EN300-97141AMY42222Phosphonic acid, (3-bromopropyl)-, diethyl esterNSC138345A893087

Datenbank-Bezeichner

CAS: 1186-10-3
PubChem CID: 283500
DTXSID: DTXSID50300688
ChEBI: CHEBI:188792
EC Number: 805-814-7
Nikkaji: J1.238.276F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 7
Schwere Atome: 12
Formalladung: 0
Komplexität: 142

Physikochemische Eigenschaften

Siedepunkt: 94 · 94-95 °C/2 mmHg (lit.)
Dichte: 1.348 g/mL · 1.348 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4620(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Acetone, Chloroform, Ethanol, Ethyl Acetate, Methanol,
Aggregatzustand: Colourless Liquid
Farbe: Colorless to Light yellow
InChI: InChI=1S/C7H16BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-7H2,1-2H3
InChIKey: PEIKTSJIUKYDPC-UHFFFAOYSA-N
SMILES: P(CCCBr)(=O)(OCC)OCC

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 (66.7%): 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 3 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29319000
risk_code: 36/37/38
safety_code: 26-36/37/39
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for synthesis of: Hybrid assembly composed of titanium dioxide nanoparticles and thin multi-walled carbon nanotubesOrganosoluble zirconium phosphonate nanocomposites for asymmetric hydrogenationCyclic hydroxamic acids via alkylation followed by intramolecular cyclizationpH-responsive cyclopolymerReactant for: Homogenization of zirconium hydroxide phosphonate supported ruthenium catalystReactions with sodium imidazolide