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Hexaethyl phosphorous triamide, 97%, Thermo Scientific Chemicals

Catalog No. AAA1249006
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Hexaethyl phosphorous triamide is used in the Barton syntheses of hindered alkenes, involving desulfurization of small-ring heterocycles with elimination of nitrogen or carbon dioxide. It is also used as a reagent for selective vicinal dehalogenation of halogenated alkanes to give perhalogenated alkenes. The method has potential for the synthesis of highly fluorinated and mixed fluoro-halo alkenes.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Hexaethyl phosphorous triamide is used in the Barton syntheses of hindered alkenes, involving desulfurization of small-ring heterocycles with elimination of nitrogen or carbon dioxide. It is also used as a reagent for selective vicinal dehalogenation of halogenated alkanes to give perhalogenated alkenes. The method has potential for the synthesis of highly fluorinated and mixed fluoro-halo alkenes.

Solubility
Insoluble in water.

Notes
Keep container tightly sealed. Store in cool, dry conditions in well sealed containers. Incompatible with oxidizing agents. It is sensitive to air. Store under dry inert gas.

Chemical Identifiers

CAS

2283-11-6

MDL Number

MFCD00009041

Specifications

Density

0.903

Boiling Point

245°C to 246°C

Flash Point

58°C (136°F)

Molecular Formula

C8H4F3NO

Refractive Index

1.4737

Quantity

5 g

UN Number

UN1993

Beilstein

636187

Sensitivity

Air Sensitive

Synonym

2-trifluoromethyl phenyl isocyanate, 1-isocyanato-2-trifluoromethyl benzene, benzene, 1-isocyanato-2-trifluoromethyl, alpha,alpha,alpha-trifluoro-o-tolyl isocyanate, o-trifluoromethylphenylisocyanate, isocyanic acid, alpha,alpha,alpha-trifluoro-o-tolyl ester, o-trifluoromethyl phenyl isocyanate, 2-trifluoromethyl phenylisocyanate, 2-trifluoromethyl benzenisocyanate, isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-o-tolyl ester

Solubility Information

Insoluble in water.

InChI Key

GZWGTVZRRFPVAS-UHFFFAOYSA-N

SMILES

C1=CC=C(C(=C1)C(F)(F)F)N=C=O

IUPAC Name

1-isocyanato-2-(trifluoromethyl)benzene

Molecular Weight (g/mol)

187.12

PubChem CID

16794

Formula Weight

247.37

Percent Purity

97%

Chemical Name or Material

Hexaethyl phosphorous triamide

Hazard Category

H226-H315-H319-H335

Hazard Statement

GHS H Statement
H226-H315-H319-H335
Flammable liquid and vapour.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

Precautionary Statement

P210-P233-P235-P240-P241-P242-P243-P261-P264b-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P363-P370+P378q-P501c

DOTInformation

Transport Hazard Class: 3; Packing Group: III; Proper Shipping Name: FLAMMABLE LIQUIDS, N.O.S.

EINECSNumber

218-920-8

TSCA

Yes

Recommended Storage

Ambient temperatures

RUO – Research Use Only

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