tris(2H3)methylphosphane

• ChemBase ID: 148618
• Molecular Formular: C3H9P
• Molecular Mass: 76.077321
• Monoisotopic Mass: 76.04418692
• SMILES: CP(C)C
• Canonical SMILES: CP(C)C
• InChI: InChI=1S/C3H9P/c1-4(2)3/h1-3H3
• InChIKey: YWWDBCBWQNCYNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(^2H₃)methylphosphane
• IUPAC Traditional name: tris(^2H₃)methylphosphane
• Synonyms: Trimethyl-d9-phosphine; 三甲基-d9-膦

Database IDs

• CAS Number: 22529-57-3
• MDL Number: MFCD00192544
• PubChem SID: 162242793; 24864322
• PubChem CID: 12483346

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.16065453
• LogD (pH = 7.4): 0.37712818
• Log P: 1.0598
• Molar Refractivity: 26.6574 cm^3
• Polarizability: 8.9757395 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 38 °C(lit.)
• Flash Point: -19 °C; -2.2 °F
• Density: 0.821 g/mL at 25 °C(lit.)
• Vapor Pressure: 7.73 psi ( 20 °C)
• Mass Shift: M+9

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 9-16-26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 1993 3/PG 2

Product Information

• Isotopic Purity: 99 atom % D
• Linear Formula: (CD3)3P

DETAILS

Sigma Aldrich - 390178

Packaging
250 mg in ampule
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Application
Has been employed in studies of organometallic compounds.1,2