4-Fluoro-1,3-dioxolan-2-one

• CAS: 114435-02-8
• Catalog Number: ACM114435028-2
• Category: Renewable & Alternative Energy
• Molecular Weight: 106.05
• Molecular Formula: C3H3FO3
• Description: Liquid
• Synonyms: 4-Fluoro-2-oxo-1,3-dioxolane
• IUPAC Name: 4-fluoro-1,3-dioxolan-2-one
• Canonical SMILES: C1C(OC(=O)O1)F
• InChI: InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2
• InChI Key: SBLRHMKNNHXPHG-UHFFFAOYSA-N
• Boiling Point: 210 °C
• Melting Point: 20 °C
• Flash Point: 102 °C
• Appearance: Colorless to Light yellow clear liquid
• Storage: Store under inert gas
• Complexity: 92.2
• Condition To Avoid: Moisture Sensitive,Heat Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 483-360-5;601-313-0
• Exact Mass: 106.006622g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 7
• MDL Number: MFCD06247543
• Monoisotopic Mass: 106.006622g/mol
• 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.
• Refractive Index: 1.4
• Rotatable Bond Count: 0
• Signal Word: Warning
• Specific Gravity: 1.50
• XLogP3: -0.3

Custom Q&A

What is the molecular formula of 4-Fluoro-1,3-dioxolan-2-one?

The molecular formula is C3H3FO3.

What is the molecular weight of 4-Fluoro-1,3-dioxolan-2-one?

The molecular weight is 106.05 g/mol.

What is the IUPAC name of 4-Fluoro-1,3-dioxolan-2-one?

The IUPAC name is 4-fluoro-1,3-dioxolan-2-one.

What is the InChI of 4-Fluoro-1,3-dioxolan-2-one?

The InChI is InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2.

What is the InChIKey of 4-Fluoro-1,3-dioxolan-2-one?

The InChIKey is SBLRHMKNNHXPHG-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Fluoro-1,3-dioxolan-2-one?

The canonical SMILES is C1C(OC(=O)O1)F.

What is the CAS number of 4-Fluoro-1,3-dioxolan-2-one?

The CAS number is 114435-02-8.

What is the EC number of 4-Fluoro-1,3-dioxolan-2-one?

The EC number is 483-360-5 and 601-313-0.

What is the XLogP3 value of 4-Fluoro-1,3-dioxolan-2-one?

The XLogP3 value is -0.3.

Is 4-Fluoro-1,3-dioxolan-2-one a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 96-49-1

• 114435-02-8

Reference: [1] Patent: CN108033943, 2018, A, . Location in patent: Paragraph 0020; 0024; 0025

Upstream Synthesis Route 2

• 96-49-1

• 114435-02-8

Reference: [1] Patent: US2006/167279, 2006, A1, . Location in patent: Page/Page column 3-5

Upstream Synthesis Route 3

• 3967-54-2

• 114435-02-8

Reference: [1] Patent: US2011/9644, 2011, A1, . Location in patent: Page/Page column 9-10

Upstream Synthesis Route 4

• 304881-41-2

• 114435-02-8

Reference: [1]Tetrahedron,2001,vol. 57,p. 9067 - 9072