2,6-Difluorophenylacetic acid

• CAS: 85068-28-6
• Catalog Number: ACM85068286
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 172.13
• Molecular Formula: C8H6F2O2
• Synonyms: Benzeneacetic acid, 2,6-difluoro-
• IUPAC Name: 2-(2,6-difluorophenyl)acetic acid
• Canonical SMILES: C1=CC(=C(C(=C1)F)CC(=O)O)F
• InChI: InChI=1S/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
• InChI Key: FUGDCKXBUZFEON-UHFFFAOYSA-N
• Boiling Point: 219 ºC
• Melting Point: 100-102 ºC (lit.)
• Density: 1.301 g/ml
• Hazard Statements: H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2,6-Difluorophenylacetic acid?

The molecular formula of 2,6-Difluorophenylacetic acid is C8H6F2O2.

What is the molecular weight of 2,6-Difluorophenylacetic acid?

The molecular weight of 2,6-Difluorophenylacetic acid is 172.13 g/mol.

What is the IUPAC name of 2,6-Difluorophenylacetic acid?

The IUPAC name of 2,6-Difluorophenylacetic acid is 2-(2,6-difluorophenyl)acetic acid.

What are some synonyms for 2,6-Difluorophenylacetic acid?

Some synonyms for 2,6-Difluorophenylacetic acid include Benzeneacetic acid, 2,6-difluoro- and 2-(2,6-difluorophenyl)acetic acid.

What is the InChIKey of 2,6-Difluorophenylacetic acid?

The InChIKey of 2,6-Difluorophenylacetic acid is FUGDCKXBUZFEON-UHFFFAOYSA-N.

What is the CAS number of 2,6-Difluorophenylacetic acid?

The CAS number of 2,6-Difluorophenylacetic acid is 85068-28-6.

How many hydrogen bond acceptor counts are there in 2,6-Difluorophenylacetic acid?

There are 4 hydrogen bond acceptor counts in 2,6-Difluorophenylacetic acid.

What is the XLogP3 value of 2,6-Difluorophenylacetic acid?

The XLogP3 value of 2,6-Difluorophenylacetic acid is 1.5.

Is 2,6-Difluorophenylacetic acid a canonicalized compound?

Yes, 2,6-Difluorophenylacetic acid is a canonicalized compound.

When was 2,6-Difluorophenylacetic acid last modified?

2,6-Difluorophenylacetic acid was last modified on December 23, 2023.

Synthetic Use

Upstream Synthesis Route 1

• 1489-53-8
• 105-56-6

• 85068-28-6
• 145689-41-4

Reference: [1] Synthesis, 1997, # 12, p. 1411 - 1414

Upstream Synthesis Route 2

• 1489-53-8
• 105-56-6

• 85068-28-6
• 145689-41-4

Reference: [1]Synthesis,1997,p. 1411 - 1414

Downstream Synthesis Route 1

• 67-56-1
• 85068-28-6

• 361336-80-3

Reference: [1] Medicinal Chemistry Research, 2017, vol. 26, # 5, p. 975 - 986

Downstream Synthesis Route 2

• 85068-28-6

• 437-81-0

Reference: [1] Asian Journal of Chemistry, 2011, vol. 23, # 3, p. 1081 - 1084
[2] Journal of the Iranian Chemical Society, 2011, vol. 8, # 2, p. 470 - 476

Downstream Synthesis Route 3

• 85068-28-6
• 103362-70-5

• 221121-48-8

Reference: [1]Tetrahedron Letters,2006,vol. 47,p. 65 - 67

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