2,4-Difluorophenol

• CAS: 367-27-1
• Catalog Number: ACM367271
• Category: Other Products
• Molecular Weight: 130.09
• Molecular Formula: C6H4F2O
• Synonyms: Phenol, 2,4-difluoro-
• IUPAC Name: 2,4-difluorophenol
• Canonical SMILES: C1=CC(=C(C=C1F)F)O
• InChI: InChI=1S/C6H4F2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
• InChI Key: NVWVWEWVLBKPSM-UHFFFAOYSA-N
• Boiling Point: 52-53 °C 19mmHg
• Melting Point: 22.4 °C
• Flash Point: 134°F
• Density: 1.362 g/ml
• Hazard Statements: Xn,Xi,C,F
• Safety Description: 26-36/37/39-45-16
• Supplemental Hazard Statements: H301-H311-H314-H302+H312+H332-H315-H318-H335-H228
• Symbol: GHS02,GHS05,GHS07,GHS06

Custom Q&A

What is the molecular formula of 2,4-Difluorophenol?

The molecular formula of 2,4-Difluorophenol is C6H4F2O.

What is the molecular weight of 2,4-Difluorophenol?

The molecular weight of 2,4-Difluorophenol is 130.09 g/mol.

What is the IUPAC name of 2,4-Difluorophenol?

The IUPAC name of 2,4-Difluorophenol is 2,4-difluorophenol.

What is the InChI of 2,4-Difluorophenol?

The InChI of 2,4-Difluorophenol is InChI=1S/C6H4F2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H.

What is the InChI Key of 2,4-Difluorophenol?

The InChI Key of 2,4-Difluorophenol is NVWVWEWVLBKPSM-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2,4-Difluorophenol have?

2,4-Difluorophenol has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2,4-Difluorophenol have?

2,4-Difluorophenol has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,4-Difluorophenol?

The topological polar surface area of 2,4-Difluorophenol is 20.2 Å^2.

How many heavy atoms are present in the molecule of 2,4-Difluorophenol?

There are 9 heavy atoms present in the molecule of 2,4-Difluorophenol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 144025-03-6

• 367-27-1

Reference: [1] Applied Catalysis A: General, 2018, vol. 562, p. 58 - 66
[2] Tetrahedron Letters, 2015, vol. 56, # 14, p. 1780 - 1783
[3] Journal of Organic Chemistry, 2001, vol. 66, # 2, p. 633 - 634

Upstream Synthesis Route 2

• 132303-32-3

• 367-27-1

Reference: [1] Patent: WO2005/92858, 2005, A2, . Location in patent: Page/Page column 78-79

Upstream Synthesis Route 3

• 108-95-2

• 371-41-5
• 367-12-4
• 367-27-1

Reference: [1] Journal of the American Chemical Society, 1990, vol. 112, # 23, p. 8563 - 8575

Downstream Synthesis Route 1

• 107-94-8
• 367-27-1

• 777-28-6

Reference: [1]Finger et al.
[Journal of the American Chemical Society, 1959, vol. 81, p. 94,95, 97]

Downstream Synthesis Route 2

• 367-27-1

• 2267-99-4

Reference: [1]Journal of the American Chemical Society,1959,vol. 81,p. 94,95, 97

Downstream Synthesis Route 3

• 367-27-1

• 98130-56-4

Reference: [1]Journal of the American Chemical Society,1959,vol. 81,p. 94,95, 97
[2]Organic Process Research and Development,2012,vol. 16,p. 704 - 709

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