tris(thiophen-2-yl)phosphane

• ChemBase ID: 86067
• Molecular Formular: C12H9PS3
• Molecular Mass: 280.368621
• Monoisotopic Mass: 279.96039992
• SMILES: P(c1cccs1)(c1cccs1)c1cccs1
• Canonical SMILES: c1csc(c1)P(c1cccs1)c1cccs1
• InChI: InChI=1S/C12H9PS3/c1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12/h1-9H
• InChIKey: KUCPTMZJPDVWJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(thiophen-2-yl)phosphane
• IUPAC Traditional name: tris(thiophen-2-yl)phosphane
• Synonyms: Tri-2-thienylphosphine; Tri(2-thienyl)phosphine; Tris(2-thienyl)phosphine; 三(2-噻吩)膦

Database IDs

• CAS Number: 24171-89-9
• EC Number: 246-059-8
• MDL Number: MFCD00015471
• Beilstein Number: 203736
• PubChem SID: 162073183
• PubChem CID: 90384

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8883
• LogD (pH = 7.4): 3.8883
• Log P: 3.8883
• Molar Refractivity: 70.42 cm^3
• Polarizability: 28.198507 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 28-30°C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%