tris(2-methylpropyl)phosphane

• ChemBase ID: 156532
• Molecular Formular: C12H27P
• Molecular Mass: 202.316541
• Monoisotopic Mass: 202.18503749
• SMILES: CC(C)CP(CC(C)C)CC(C)C
• Canonical SMILES: CC(CP(CC(C)C)CC(C)C)C
• InChI: InChI=1S/C12H27P/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3
• InChIKey: DAGQYUCAQQEEJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-methylpropyl)phosphane
• IUPAC Traditional name: tris(2-methylpropyl)phosphane
• Synonyms: Cytop® 341; Tris(2-methylpropyl)phosphine; Triisobutylphosphine; 三(2-甲基丙基)膦; 三异丁基膦烷

Database IDs

• CAS Number: 4125-25-1
• EC Number: 223-934-2
• MDL Number: MFCD00015049
• Beilstein Number: 1738664
• PubChem SID: 24867400; 162250669
• PubChem CID: 107228

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5782938
• LogD (pH = 7.4): 3.5808644
• Log P: 4.379
• Molar Refractivity: 68.0376 cm^3
• Polarizability: 25.590317 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 126 °C/50 mmHg(lit.)
• Flash Point: 10 °C; 50 °F
• Density: 0.811 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.451(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17-20/21/22-34
• Safety Statements: 16-23-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H302-H312-H314-H332
• GHS Precautionary statements: P210-P222-P231-P280-P305 + P351 + P338-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)
• Linear Formula: [(CH3)2CHCH2]3P

DETAILS

Sigma Aldrich - 43784

Legal Information
Cytop is a registered trademark of Cytec Technology Corp.