tris(propan-2-yl)phosphane

• ChemBase ID: 137699
• Molecular Formular: C9H21P
• Molecular Mass: 160.236801
• Monoisotopic Mass: 160.1380873
• SMILES: CC(C)P(C(C)C)C(C)C
• Canonical SMILES: CC(P(C(C)C)C(C)C)C
• InChI: InChI=1S/C9H21P/c1-7(2)10(8(3)4)9(5)6/h7-9H,1-6H3
• InChIKey: IGNTWNVBGLNYDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yl)phosphane
• IUPAC Traditional name: triisopropylphosphane
• Synonyms: Triisopropylphosphine; 三异丙基膦

Database IDs

• CAS Number: 6476-36-4
• EC Number: 229-333-1
• MDL Number: MFCD00015029
• Beilstein Number: 906732
• PubChem SID: 24889606; 24863218; 162231961
• PubChem CID: 80969

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.854321
• LogD (pH = 7.4): 1.8662157
• Log P: 2.6816
• Molar Refractivity: 54.4548 cm^3
• Polarizability: 20.05056 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 176-178°C; 81 °C/22 mmHg(lit.)
• Flash Point: 105 °C; -17°C(1°F); 221 °F
• Density: 0.839; 0.839 g/mL at 25 °C(lit.)
• Refractive Index: 1.4670; n20/D 1.466; n20/D 1.466(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2845; UN2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1; I
• Risk Statements: 17-34
• Safety Statements: 17-26-36; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H252-H314-H318; H250-H314
• GHS Precautionary statements: P210-P303+P361+P353-P305+P351+P338-P405-P422A-P501A; P222-P231-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1

Product Information

• Purity: ~90% (GC); 90%; 90+%; 98%
• Grade: technical; technical grade
• Linear Formula: [(CH3)2CH]3P

DETAILS

Sigma Aldrich - 377309

Packaging
1 g in glass bottle

Sigma Aldrich - 92093

Other Notes
Bulky, nucleophilic and basic phosphine. Ligand used in organometallic chemistry1,2,3,4