Hexaethyl phosphorous triamide, 97%, Thermo Scientific Chemicals

Description

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.

Specifications

Chemical Identifiers

• CAS: 2283-11-6
• MDL Number: MFCD00009041

• 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

Safety and Handling

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

SDS

RUO – Research Use Only