4-Bromo-2-fluorobenzaldehyde

• CAS: 57848-46-1
• Catalog Number: ACM57848461
• Category: Bromine Series
• Molecular Weight: 203.01
• Molecular Formula: C7H4BrFO
• Synonyms: Benzaldehyde, 4-bromo-2-fluoro-
• IUPAC Name: 4-bromo-2-fluorobenzaldehyde
• Canonical SMILES: C1=CC(=C(C=C1Br)F)C=O
• InChI: InChI=1S/C7H4BrFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
• InChI Key: UPCARQPLANFGQJ-UHFFFAOYSA-N
• Boiling Point: 42°C19mm
• Melting Point: 58-62 ºC (lit.)
• Flash Point: 42°C/19mm
• Density: 1.67 g/ml
• Appearance: White to Orange to Green powder to crystal
• Storage: Store under inert gas
• Complexity: 129
• Covalently-Bonded Unit Count: 1
• Exact Mass: 201.94296g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 10
• MDL Number: MFCD00143261
• Monoisotopic Mass: 201.94296g/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.
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 1
• Safety Description: 37/39-26-36
• Signal Word: Warning
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• XLogP3: 2.2

Synthetic Use

Downstream Synthesis Route 1

• 57848-46-1

• 17347-32-9

Reference: [1] Patent: WO2012/149413, 2012, A1,

Downstream Synthesis Route 2

• 57848-46-1

• 50593-24-3

Reference: [1] Organic Process Research and Development, 2018, vol. 22, # 3, p. 409 - 419

Downstream Synthesis Route 3

• 57848-46-1

• 7746-27-2

Reference: [1] Patent: US2011/118257, 2011, A1,

Downstream Synthesis Route 4

• 57848-46-1

• 188582-62-9

Reference: [1]Current Patent Assignee: MEDIFRON DBT CO.,LTD. - WO2010/127856, 2010, A1
Location in patent: Page/Page column 92

Downstream Synthesis Route 5

• 146014-66-6
• 57848-46-1

• 888486-53-1

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 2791 - 2795

Downstream Synthesis Route 6

• 57848-46-1

• 79762-54-2

Reference: [1]Patent: CN106146401,2016,A .Location in patent: Paragraph 0117; 0190; 0191

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