Tris(3-fluorophenyl)phosphine

• CAS: 23039-94-3
• Catalog Number: ACM23039943-1
• Category: Organic Phosphine Compounds
• Molecular Weight: 316.27
• Molecular Formula: C18H12F3P
• Synonyms: Tris(3-fluorophenyl)phosphane; Phosphine,tris(3-fluorophenyl)-
• IUPAC Name: tris(3-fluorophenyl)phosphane
• InChI: CUTRINLXFPIWQB-UHFFFAOYSA-N
• InChI Key: InChI=1S/C18H12F3P/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H
• Boiling Point: 371.1±37.0 °C(Predicted)
• Melting Point: 62 °C
• Appearance: Solid
• Hazard Statements: H315-H319-H335
• Isomeric SMILES: C1=CC(=CC(=C1)P(C2=CC=CC(=C2)F)C3=CC=CC(=C3)F)F
• MDL Number: MFCD00015722
• Safety Description: 26-37/39
• Symbol: GHS07

Custom Q&A

What is the IUPAC name of the compound with the Chemical Structure depicted?

The IUPAC name is tris(3-fluorophenyl)phosphane.

What is the Molecular Formula of the compound with the Chemical Structure depicted?

The Molecular Formula is C18H12F3P.

What is the CAS number of the compound with the Chemical Structure depicted?

The CAS number is 23039-94-3.

How many Covalently-Bonded Unit Counts are there in the computed properties of the compound?

There is 1 Covalently-Bonded Unit Count.

What is the Canonical SMILES notation for the compound with the Chemical Structure depicted?

The Canonical SMILES notation is C1=CC(=CC(=C1)P(C2=CC=CC(=C2)F)C3=CC=CC(=C3)F)F.

What is the Molecular Weight of the compound with the Chemical Structure depicted?

The Molecular Weight is 316.3g/mol.

How many Heavy Atoms are present in the computed properties of the compound?

There are 22 Heavy Atoms.

What is the InChIKey of the compound with the Chemical Structure depicted?

The InChIKey is CUTRINLXFPIWQB-UHFFFAOYSA-N.

What is the Exact Mass of the compound with the Chemical Structure depicted?

The Exact Mass is 316.06287187.

What is a Depositor-Supplied Synonym for the compound with the Chemical Structure depicted?

A Depositor-Supplied Synonym is tris(3-fluorophenyl)phosphane.

Synthetic Use

Upstream Synthesis Route 1

• 1073-06-9

• 23039-94-3

Reference: [1] Chemistry - A European Journal, 2012, vol. 18, # 36, p. 11423 - 11432
[2] Chemische Berichte, 1984, vol. 117, # 9, p. 2791 - 2802

Upstream Synthesis Route 2

• 1073-06-9

• 23039-94-3

Reference: [1]Chemistry - A European Journal,2012,vol. 18,p. 11423 - 11432
[2]Chemische Berichte,1984,vol. 117,p. 2791 - 2802

Downstream Synthesis Route 1

• 23039-94-3
• 13463-39-3

• 52151-05-0

Reference: [1]Journal of Organometallic Chemistry,1974,vol. 64,p. 265 - 270

* For details of the synthesis route, please refer to the original source to ensure accuracy.