Tributylphosphinoxid

Tributylphosphine oxide

HCID 13138CAS 814-29-9

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Grundinformationen

Standard-SMILES: CCCCP(=O)(CCCC)CCCC
InChIKey: MNZAKDODWSQONA-UHFFFAOYSA-N
Summenformel: C12H27OP
Durchschnittliche Molmasse: 218,32 g/mol
Monoisotopische Masse: 218,17995211

Namen und Bezeichner

Bevorzugter Name: Tributylphosphine oxide
IUPAC: 1-dibutylphosphorylbutane
Lokaler Name: Tributylphosphinoxid
Englischer Name: Tri-n-butylphosphine oxide
Summenformel: C12H27OP
Molmasse: 218.32

Namen und Synonyme

TRIBUTYLPHOSPHINE OXIDE814-29-9ButyphosPhosphine oxide, tributyl-Trisbutylphosphine oxideTributylfosfinoxidW58CDF8S4HNSC-41935NSC-65484DTXSID2061149RefChem:571882DTXCID5048217

Weitere Namen anzeigen

BUTYLPHOSNSC 65484NSC 41935HISHICOLIN PO-4tributylphane oxideOseltamivir impurity Htributyl-phosphineoxid

212-394-3Tri-n-butylphosphine oxide1-dibutylphosphorylbutaneTRI-N-BUTYLPHOSPHINEOXIDETBPOtributylphosphane oxide1-(dibutylphosphoryl)butaneMFCD00002082

Datenbank-Bezeichner

CAS: 814-29-9
PubChem CID: 13138
DTXSID: DTXSID2061149
UNII: W58CDF8S4H
EC Number: 212-394-3
Nikkaji: J50.218I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 9
Schwere Atome: 14
Formalladung: 0
Komplexität: 137

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phosphorus Compounds

SpringerMaterials PropertiesChemical shift

Physical DescriptionWhite crystalline powder; Hygroscopic; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-69 °C(lit.)
Siedepunkt: 150 °C1.5 · 150 °C1.5 mm Hg(lit.)
Dichte: 0.848 g/cm3 · 0.8480 g/cm3
Flammpunkt: 150 °C/1mm · 150°C/1mm
storage temp.: 2 · 2-8°C
Löslichkeit: 55.7 g/l · 55.7g/l
Aggregatzustand: solid
Farbe: White to Almost white
Wasserlöslichkeit: Soluble in water (56 g/L at 20°C).
BRN: 1761977 · 1761977
InChI: InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKey: MNZAKDODWSQONA-UHFFFAOYSA-N
SMILES: P(=O)(CCCC)(CCCC)CCCC
CAS Datenbank: 814 · 814-29-9(CAS DataBase Reference)
EPA chemische Informationen: Tributylphosphine oxide (814-29-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302+H312+H332 (69.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 151 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Phosphine oxide, tributyl-

Phosphine oxide, tributyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA severe eye irritant; Intravenous LD50 (mouse) = 320 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS] See Trioctylphosphine oxide. See Tributylphosphine.

Hazard Classes and CategoriesAcute Tox. 4 (96.7%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1759 8/PG 2
hs_code: 29319090
RTECS-Nr.: SZ1575000
risk_code: 20/21/22-34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralSkin Corr. 1B

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 3 Einträge

Herbicides that remove leaves from trees and growing plants. They may be either organic or inorganic. Several of the more persistent types have been used in military operations and many are toxic. (From Hawley's Condensed Chemical Dictionary, 11th ed)

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Chemicals that, while not possessing inherent pesticidal activity, nonetheless promote or enhance the effectiveness of other pesticides when combined.