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Triisopropyl phosphite
TRIISOPROPYL PHOS · Isopropyl phosphite · Triisopropyl phosphi · TRISOPROPYL PHOSHITE · tri-2-propylphosphite · tri-isopropylphosphit · TRI-I-PROPYLPHOSPHITE · Tri-2-propyl phosphite
Identifikatoren & physikalische Daten
| CAS No. | 116-17-6 |
|---|---|
| Summenformel | C9H21O3P |
| Durchschnittliche Molmasse | 208,23 g/mol |
| Monoisotopische Masse | 208,12283116 g/mol |
| SMILES | CC(C)OP(OC(C)C)OC(C)C |
| InChIKey | SJHCUXCOGGKFAI-UHFFFAOYSA-N |
| PubChem CID | 8304 |
| ChEMBL | CHEMBL3560028 |
| EC No. | 204-130-0 |
| DTXSID | DTXSID9044372 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 102 |
| Stoffklassen | Other Classes -> Phosphite Compounds |
| SpringerMaterials Properties | Optical coefficient |
| Geruch | Characteristic odor |
| Dichte | 0.9063 g/cu cm at 20 °C0.844 g/mL at 25 °C(lit.) |
| Color/Form | Colorless liquid |
| Löslichkeit | Soluble in alcohol, ether, chloroformMiscible with most organic solventsinsoluble in waterInsoluble in water, soluble in benzene and other organic solvents. |
| Flammpunkt | 165 °F Open Cup73.9 °C Closed Cup154 °F |
| Siedepunkt | 94 to 96 °C at 50 mm HgBP: 74 °C at 20 mm Hg60 °C at 10 mm Hg63-64 °C11 mm Hg(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /phosphorous oxide/. |
| Dampfdruck | 0.27 [mmHg]<2 mm Hg ( 20 °C) |
| Brechungsindex | Index of refraction: 1.4085 at 25 °Cn20/D 1.411(lit.) |
| Physical Description | Colorless liquid[HSDB] |
| Lagerbedingungen | -20°C |
| Aggregatzustand | Liquid |
| Wichte | 0.844 |
| Farbe | Clear |
| BRN | 1701528 |
| InChI | 1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3 |
| InChIKey | SJHCUXCOGGKFAI-UHFFFAOYSA-N |
| SMILES | CC(C)OP(OC(C)C)OC(C)C |
| LogP (Verteilungskoeffizient) | 2 |
| CAS Datenbank | 116-17-6(CAS DataBase Reference) |
| NIST chemische Informationen | Phosphorous acid, tris(1-methylethyl) ester(116-17-6) |
| EPA chemische Informationen | Phosphorous acid, tris(1-methylethyl) ester (116-17-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (94%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P280, P301+P316, P302+P352, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phosphorous acid, tris(1-methylethyl) esterPhosphorous acid, tris(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphorous acid, tris(1-methylethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10512Phosphorous acid, tris(1-methylethyl) ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Brandpotenzial | Combustible |
| Gefahrenübersicht | Toxic if ingestedAn irritant[Alfa Aesar MSDS] |
| DOT Emergency Guidelines | /GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Health: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Organophosphorus compound, poisonous, liquid, NOSOrganophosphorus compound, toxic, liquid, NOSOrganophosphorus compound, poisonous, NOSOrganophosphorus compound, toxic, NOS (Triisopropyl phosphite)//GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways. /Organophosphorus compound, poisonous, liquid, NOS/GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at lease 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. /Organophosphorus compound, poisonous, liquid, NOS/GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLYit is not effective in spill situations where direct contact with the substance is possible. /Organophosphorus compound, poisonous, liquid, NOSFor more DOT Emergency Guidelines (Complete) data for TRIISOPROPYL PHOSPHITE (8 total), please visit the HSDB record page. |
| Hazard Classes and Categories | Acute Tox. 3 (94%) |
| Entsorgungsverfahren | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| Non-Human Toxicity Values | LD50 Rat oral 167 mg/kgLD50 Mouse ip 500 mg/kg |
| F | 1-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3278 6.1/PG 3 |
| Zollcode | 29209090 |
| RTECS-Nr. | TH2800000 |
| R-Sätze (R) | 25-38-68 |
| Gefahrensymbole | T,F |
| hazard_note | Toxic/Flammable/Moisture Sensitive/ |
| Sicherheitshinweise (S) | 37-46-45-36/37 |
| Gefahrenklasse | 3Acute Tox. 3 OralSkin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 116-17-6(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Triisopropyl phosphite can be used as a reactant:With Ru-based indenylidene complexes to form 1st generation complexes for metathesis reactions.In Perkow-type reaction to synthesize compounds containing polarized carbon-carbon double bonds.For the synthesis of phosphonohydrazines by reacting with arylamines and isoamyl nitrite.It can also be used as an alternative to triphenylphosphine in Mitsunobu reaction to facilitate the isolation of products.