Dibutyl methylphosphonate

HCID 16994

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Grundinformationen

CAS: 2404-73-1
Standard-SMILES: CCCCOP(C)(=O)OCCCC
InChIKey: NPNBLTJGRBYCJB-UHFFFAOYSA-N
Summenformel: C9H21O3P
Durchschnittliche Molmasse: 208,23 g/mol
Monoisotopische Masse: 208,12283153

Namen und Bezeichner

Bevorzugter Name: Dibutyl methylphosphonate
IUPAC: 1-[butoxy(methyl)phosphoryl]oxybutane
Englischer Name: DI-N-BUTYL METHYLPHOSPHONATE
Summenformel: C9H21O3P
Molmasse: 208.24

Namen und Synonyme

DIBUTYL METHYLPHOSPHONATE2404-73-1Dibutyl methanephosphonateDTXSID70178785Methylphosphonic acid, dibutyl esterPhosphonic acid, methyl-, dibutyl esterPhosphonic acid, methyl-, o,o-dibutyl esterRefChem:132941DTXCID30101276NPNBLTJGRBYCJB-UHFFFAOYSA-N1-[butoxy(methyl)phosphoryl]oxybutaneMFCD00015242

Weitere Namen anzeigen

DIBUTYLMETHYLPHOSPHONATEDI-N-BUTYL METHANEPHOSPHONATEPhosphonic acid, P-methyl-, dibutyl ester

di-n-butyl methylphosphonateDibut-1-yl MethylphosphonateSCHEMBL575461SCHEMBL5771057methyl-phosphonic acid dibutyl ester1-(Butoxy-methylphosphoryl)oxybutaneAKOS017343692DB-249955

Datenbank-Bezeichner

CAS: 2404-73-1
PubChem CID: 16994
DTXSID: DTXSID70178785
EC Number: 680-714-2
Nikkaji: J265.480F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 8
Schwere Atome: 13
Formalladung: 0
Komplexität: 145

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1363

Physikochemische Eigenschaften

Siedepunkt: 86 · 86-91 °C(Press: 1.5 Torr)
Dichte: 0.977 g/cm3 · 0.9770 g/cm3
Brechungsindex: 1.518 · 1.5180 (estimate)
Aggregatzustand: Liquid
Wasserlöslichkeit: 8 g/L · 8g/L(25 ºC)
CAS Datenbank: 2404 · 2404-73-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 88.1% (37 of 42) of all reports.

Warning

H226 (11.9%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 37 of 42 reports by companies.；There are 2 notifications provided by 5 of 42 reports by companies with hazard statement code(s).；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.