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Triisopropyl phosphite

HCID 8304
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Grundinformationen

CAS
116-17-6
Standard-SMILES
CC(C)OP(OC(C)C)OC(C)C
InChIKey
SJHCUXCOGGKFAI-UHFFFAOYSA-N
Summenformel
C9H21O3P
Durchschnittliche Molmasse
208,23 g/mol
Monoisotopische Masse
208,12283116

Namen und Bezeichner

Bevorzugter Name
Triisopropyl phosphite
IUPAC
tripropan-2-yl phosphite
Englischer Name
Triisopropyl phosphite
Summenformel
C9H21O3P
Molmasse
208.24

Namen und Synonyme

TRIISOPROPYL PHOSPHITE116-17-6tripropan-2-yl phosphitePhosphorous acid, tris(1-methylethyl) esterTri-2-propyl phosphiteTriisopropoxyphosphineIsopropyl phosphite, tri-TriisopropylphosphitePhosphorous acid, triisopropyl esterTri-2-propylphosphiteDTXSID9044372RJ7QU4YQUN
Weitere Namen anzeigen
TRIISOPROPYL PHOSIsopropyl phosphiteTriisopropyl phosphiTRISOPROPYL PHOSHITEtri-isopropylphosphitTRI-I-PROPYLPHOSPHITE
NSC-6516DTXCID7024372RefChem:191700204-130-0tris(propan-2-yl) phosphitePhosphorous Acid Triisopropyl EsterMFCD00008874Isopropyl phosphite, ((C3H7O)3P)

Datenbank-Bezeichner

CAS
116-17-6
PubChem CID
8304
DTXSID
DTXSID9044372
ChEMBL
CHEMBL3560028
UNII
RJ7QU4YQUN
EC Number
204-130-0
Nikkaji
J2.902E

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
2,5
Polarare Oberfläche (TPSA)
27,7 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
6
Schwere Atome
13
Formalladung
0
Komplexität
102

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phosphite Compounds
SpringerMaterials PropertiesOptical coefficient
OdorCharacteristic odor
Density0.9063 g/cu cm at 20 °C
Color/FormColorless liquid
Solubility · 2 Einträge

Soluble in alcohol, ether, chloroform

Miscible with most organic solvents; insoluble in water

Flash Point165 °F Open Cup; 73.9 °C Closed Cup
Boiling Point · 2 Einträge

94 to 96 °C at 50 mm Hg

BP: 74 °C at 20 mm Hg; 60 °C at 10 mm Hg

DecompositionWhen heated to decomposition it emits toxic fumes of /phosphorous oxide/.
Vapor Pressure

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Phosphorous acid, tris(1-methylethyl) ester

Phosphorous 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/10512

Phosphorous 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.

Fire PotentialCombustible
Hazards SummaryToxic if ingested; An irritant; [Alfa Aesar MSDS]
DOT Emergency Guidelines · 5 Einträge

/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, NOS; Organophosphorus compound, toxic, liquid, NOS; Organophosphorus compound, poisonous, NOS; Organophosphorus compound, toxic, NOS (Triisopropyl phosphite)/

Chemie und Industrie

Verwendung und Herstellung

Uses · 4 Einträge

Used as a lubricant additive, specialty solvent, antioxidant, and intermediate for insecticides; Could be used as a precursor for chemical weapons; [HSDB]

Intermediate for insecticides, component of vinyl stabilizers, lubricant additive, specialty solvent.

Antioxidant

Schedule 3 Precursor. Guidelines for Schedule 3: The following criteria shall be taken into account in considering whether a toxic chemical or precursor, not listed in other Schedules, should be included in Schedule 3: (a) It has been produced, stockpiled or used as a chemical weapon; (b) It poses otherwise a risk to the object and purpose of this Convention because it possesses such lethal or incapacitating toxicity as well as other properties that might enable it to be used as a chemical weapon; (c) It poses a risk to the object and purpose of this Convention by virtue of its importance in the production of one or more chemicals listed in Schedule 1 or Schedule 2, part B; (d) It may be produced in large commercial quantities for purposes not prohibited under this Convention.

U.S. Exports · 2 Einträge

(1972) No Data

(1975) No Data

U.S. Imports · 2 Einträge

(1972) No Data

(1975) No Data

U.S. Production · 4 Einträge

2023: <50,000 lb

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4055]

Methods of ManufacturingReaction of phosphorus trichloride and isopropyl alcohol in the presence of a tertiary amine
General Manufacturing Information · 2 Einträge

Phosphorous acid, tris(1-methylethyl) ester: ACTIVE

On December 29, 2004, the Department of Commerce Bureau of Industry and Security announced the implementation of the Understandings Reached at the June 2004 Australia Group (AG). Among several items, this rule adds the following four precursor chemicals to the list of chemicals in Export Control Classification Number (ECCN) 1C350.d that may be used as precursors to toxic chemical agents: Tri-isopropyl phosphite; O,O-diethyl phosphorothioate; O,O-diethyl phosphorodithioate; and Sodium hexafluorosilicate.

Zugehörige Reaktionen

99
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 4911
HRID 4911als Eduktuspto-grants-1993_09
Reaktionsgleichung von HRID 75201
HRID 75201als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 75211
HRID 75211als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 75221
HRID 75221als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 93587
HRID 93587als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 95847
HRID 95847als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 96188
HRID 96188als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 103685
HRID 103685als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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0.27 [mmHg]
Refractive IndexIndex of refraction: 1.4085 at 25 °C
Physical DescriptionColorless liquid; [HSDB]

Physikochemische Eigenschaften

Siedepunkt
63 · 63-64 °C11 mm Hg(lit.)
Dichte
0.844 g/mL · 0.844 g/mL at 25 °C(lit.)
Dampfdruck
2 mm · <2 mm Hg ( 20 °C)
Brechungsindex
20 · n20/D 1.411(lit.)
Flammpunkt
154 °F · 154 °F
storage temp.
-20 °C · -20°C
Löslichkeit
Insoluble in water, soluble in benzene and other organic solvents.
Aggregatzustand
Liquid
Wichte
0.844 · 0.844
Farbe
Clear
Wasserlöslichkeit
Insoluble
BRN
1701528 · 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
2 · 2
CAS Datenbank
116 · 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)

/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; Organophosphorus compound, toxic, liquid, NOS; Organophosphorus compound, poisonous, NOS; Organophosphorus compound, toxic, NOS (Triisopropyl phosphite)/

/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; Organophosphorus compound, toxic, liquid, NOS; Organophosphorus compound, poisonous, NOS; Organophosphorus compound, toxic, NOS (Triisopropyl phosphite)/

/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 ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Organophosphorus compound, poisonous, liquid, NOS; Organophosphorus compound, toxic, liquid, NOS; Organophosphorus compound, poisonous, NOS; Organophosphorus compound, toxic, NOS (Triisopropyl phosphite)/

For more DOT Emergency Guidelines (Complete) data for TRIISOPROPYL PHOSPHITE (8 total), please visit the HSDB record page.

Hazard Classes and CategoriesAcute Tox. 3 (94%)

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

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 quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Toxikologische Informationen

Non-Human Toxicity Values · 2 Einträge

LD50 Rat oral 167 mg/kg

LD50 Mouse ip 500 mg/kg

Sicherheitsdaten

F
1-10
wgk
3
tsca
TSCA listed
ridadr
UN 3278 6.1/PG 3
hs_code
29209090
RTECS-Nr.
TH2800000
risk_code
25-38-68
hazard_code
T,F
hazard_note
Toxic/Flammable/Moisture Sensitive/
safety_code
37-46-45-36/37
hazard_class
3
packing_group
III
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Giftige Stoffe Daten
116-17-6(Hazardous Substances Data)
Hazard Classifications
Acute Tox. 3 OralSkin Irrit. 2
Anwendungen · 1 Eintrag

VerwendenTriisopropyl 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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

N,N-DiethylethanaminPhosphorige Säure-trichloridPropan-2-olLigroin

Nachgelagerte Produkte

TriisopropylphosphatTetraisopropyl dichloromethylene diphosphonateBis(1-methylethyl)methylphosphonatSchwefelsäure-bis(1-methylethyl)-esterDiethyl allylphosphonateTetraisopropylmethylenbisphosphonat2,6-ditert-butyl-4-[di(propan-2-yloxy)phosphorylmethyl]phenol