Tetrafluoro-1,4-benzoquinone

• CAS: 527-21-9
• Catalog Number: ACM527219
• Category: Amines
• Molecular Weight: 180.06
• Molecular Formula: C6F4O2
• Synonyms: Fluoranil
• IUPAC Name: 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione
• Canonical SMILES: C1(=C(C(=O)C(=C(C1=O)F)F)F)F
• InChI: InChI=1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
• InChI Key: JKLYZOGJWVAIQS-UHFFFAOYSA-N
• Boiling Point: 133.1ºC at 760 mmHg
• Melting Point: 300 °C
• Flash Point: 44.6ºC
• Density: 1.62 g/cm³
• Appearance: Light yellow to Brown powder to crystal
• Storage: Store under inert gas
• Condition To Avoid: Light Sensitive,Air Sensitive,Heat Sensitive
• EC Number: 208-411-9
• Exact Mass: 179.98300
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• MDL Number: MFCD00001592
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• RIDADR: NONH for all modes of transport
• Safety Description: S37
• Signal Word: Warning
• Stability: Stable. Non-flammable. Incompatible with strong oxidizing agents, alkali metals, strong reducing agents.
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the PubChem CID of Tetrafluoro-1,4-benzoquinone?

PubChem CID 68239.

What is the molecular formula of Tetrafluoro-1,4-benzoquinone?

The molecular formula is C6F4O2.

What is the molecular weight of Tetrafluoro-1,4-benzoquinone?

The molecular weight is 180.06 g/mol.

What is the IUPAC name of Tetrafluoro-1,4-benzoquinone?

The IUPAC name is 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione.

What is the InChI of Tetrafluoro-1,4-benzoquinone?

The InChI is InChI=1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11.

What is the InChIKey of Tetrafluoro-1,4-benzoquinone?

The InChIKey is JKLYZOGJWVAIQS-UHFFFAOYSA-N.

What is the canonical SMILES of Tetrafluoro-1,4-benzoquinone?

The canonical SMILES is C1(=C(C(=O)C(=C(C1=O)F)F)F)F.

What is the CAS number of Tetrafluoro-1,4-benzoquinone?

The CAS number is 527-21-9.

What is the EC number of Tetrafluoro-1,4-benzoquinone?

The EC number is 208-411-9.

What is the XLogP3-AA value of Tetrafluoro-1,4-benzoquinone?

The XLogP3-AA value is 1.3.

Synthetic Use

Upstream Synthesis Route 1

• 771-63-1

• 527-21-9

Reference: [1]Essers, Michael; Haufe, Guenter
[Journal of the Chemical Society. Perkin Transactions 1 (2001), 2002, # 23, p. 2719 - 2728]

Downstream Synthesis Route 1

• 527-21-9

• 771-63-1

Reference: [1]Baschieri, Andrea; Amorati, Riccardo; Valgimigli, Luca; Sambri, Letizia
[Journal of Organic Chemistry, 2019, vol. 84, # 21, p. 13655 - 13664]
[2]Nield,E.; Taltow,J.C.
[Tetrahedron, 1960, vol. 8, p. 38 - 41]
[3]Wallenfels; Draber
[Chemische Berichte, 1957, vol. 90, p. 2819,2831]
[4]Nield,E.; Taltow,J.C.
[Tetrahedron, 1960, vol. 8, p. 38 - 41]

Downstream Synthesis Route 2

• 527-21-9
• 62-53-3

• 1425-96-3

Reference: [1]Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David
[Inorganic Chemistry, 2014, vol. 54, # 1, p. 359 - 369]
[2]Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David
[Inorganic Chemistry, 2014, vol. 54, # 1, p. 359 - 369]
[3]Nield,E.; Taltow,J.C.
[Tetrahedron, 1960, vol. 8, p. 38 - 41]

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