Chlorobis(4-fluorophenyl)methane

• CAS: 27064-94-4
• Catalog Number: ACM27064944
• Category: Imidates
• Molecular Weight: 238.66
• Molecular Formula: C₁₃H₉ClF₂
• Hazard Statements: H302-H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of Chlorobis(4-fluorophenyl)methane?

The molecular formula is C13H9ClF2.

What is the molecular weight of Chlorobis(4-fluorophenyl)methane?

The molecular weight is 238.66 g/mol.

What is the IUPAC name of Chlorobis(4-fluorophenyl)methane?

The IUPAC name is 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene.

What is the InChI of Chlorobis(4-fluorophenyl)methane?

The InChI is InChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H.

What is the InChIKey of Chlorobis(4-fluorophenyl)methane?

The InChIKey is FHPNLCLHMNPLEW-UHFFFAOYSA-N.

What is the Canonical SMILES of Chlorobis(4-fluorophenyl)methane?

The Canonical SMILES is C1=CC(=CC=C1C(C2=CC=C(C=C2)F)Cl)F.

What is the CAS number of Chlorobis(4-fluorophenyl)methane?

The CAS number is 27064-94-4.

What is the XLogP3-AA value of Chlorobis(4-fluorophenyl)methane?

The XLogP3-AA value is 4.2.

How many hydrogen bond donor counts does Chlorobis(4-fluorophenyl)methane have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Chlorobis(4-fluorophenyl)methane have?

It has 2 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 365-24-2

• 27064-94-4

Reference: [1]Patil, Mahadev; Noonikara Poyil, Anurag; Joshi, Shrinivas D.; Patil, Shivaputra A.; Patil, Siddappa A.; Bugarin, Alejandro
[Bioorganic Chemistry, 2019, vol. 92]

Downstream Synthesis Route 1

• 110-85-0
• 27064-94-4

• 27469-60-9

Reference: [1] Journal of Medicinal Chemistry, 1997, vol. 40, # 13, p. 2047 - 2052

Downstream Synthesis Route 2

• 27064-94-4
• 142-64-3

• 27469-60-9

Reference: [1] Medicinal Chemistry Research, 2014, vol. 23, # 6, p. 3207 - 3219

Downstream Synthesis Route 3

• 27064-94-4

• 27469-60-9

Reference: [1] Collection of Czechoslovak Chemical Communications, 1994, vol. 59, # 5, p. 1126 - 1136

Downstream Synthesis Route 4

• 27064-94-4
• 141-97-9

• 144477-71-4

Reference: [1]Buschauer, A; Friese-Kimmel A; Baumann, G; Schunack, W
[European Journal of Medicinal Chemistry, 1992, vol. 27, # 4, p. 321 - 330]

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