4-Bromo-2-fluorophenol

• CAS: 2105-94-4
• Catalog Number: ACM2105944
• Category: Bromine Series
• Molecular Weight: 191
• Molecular Formula: C6H4BrFO
• Synonyms: Phenol, 4-bromo-2-fluoro-
• IUPAC Name: 4-bromo-2-fluorophenol
• SMILES: C1=CC(=C(C=C1Br)F)O
• InChI: InChI=1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
• InChI Key: RYVOZMPTISNBDB-UHFFFAOYSA-N
• Boiling Point: 79 °C 7mmHg
• Density: 1.744 g/ml
• Appearance: Colorless to Light orange to Yellow clear liquid
• Storage: Store under inert gas
• Complexity: 99.1
• Covalently-Bonded Unit Count: 1
• EC Number: 606-697-3
• Exact Mass: 189.94296g/mol
• Formal Charge: 0
• Hazard Statements: H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 9
• MDL Number: MFCD00011722
• Monoisotopic Mass: 189.94296g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ 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.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
• Refractive Index: 1.57
• Rotatable Bond Count: 0
• Signal Word: Warning
• Specific Gravity: 1.76
• XLogP3: 2.6

Custom Q&A

What is the molecular formula of 4-Bromo-2-fluorophenol?

The molecular formula of 4-Bromo-2-fluorophenol is C6H4BrFO.

What is the molecular weight of 4-Bromo-2-fluorophenol?

The molecular weight of 4-Bromo-2-fluorophenol is 191.00 g/mol.

What is the IUPAC name of 4-Bromo-2-fluorophenol?

The IUPAC name of 4-Bromo-2-fluorophenol is 4-bromo-2-fluorophenol.

What is the InChI of 4-Bromo-2-fluorophenol?

The InChI of 4-Bromo-2-fluorophenol is InChI=1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H.

What is the InChIKey of 4-Bromo-2-fluorophenol?

The InChIKey of 4-Bromo-2-fluorophenol is RYVOZMPTISNBDB-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-2-fluorophenol?

The canonical SMILES of 4-Bromo-2-fluorophenol is C1=CC(=C(C=C1Br)F)O.

What is the CAS number of 4-Bromo-2-fluorophenol?

The CAS number of 4-Bromo-2-fluorophenol is 2105-94-4.

What is the European Community (EC) number of 4-Bromo-2-fluorophenol?

The European Community (EC) number of 4-Bromo-2-fluorophenol is 606-697-3.

What is the DSSTox Substance ID of 4-Bromo-2-fluorophenol?

The DSSTox Substance ID of 4-Bromo-2-fluorophenol is DTXSID90175271.

Is 4-Bromo-2-fluorophenol a canonicalized compound?

Yes, 4-Bromo-2-fluorophenol is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 367-12-4

• 2105-94-4

Reference: [1] Patent: US4642338, 1987, A,

Upstream Synthesis Route 2

• 367-12-4

• 2105-94-4
• 576-86-3

Reference: [1] Tetrahedron, 2012, vol. 68, # 46, p. 9456 - 9463

Upstream Synthesis Route 3

• 367-12-4

• 2105-94-4

Reference: [1] Patent: US5225607, 1993, A,

Downstream Synthesis Route 1

• 75-45-6
• 2105-94-4

• 147992-27-6

Reference: [1]Shelyazhenko, S. V.; Fialkov, Yu. A.; Yagupol'skii, L. M.
[Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 8.1, p. 1317 - 1324][Zhurnal Organicheskoi Khimii, 1992, vol. 28, # 8, p. 1652 - 1660]

Downstream Synthesis Route 2

• 2105-94-4
• 121219-12-3

• 133826-42-3

Reference: [1]Tetrahedron Letters,1994,vol. 35,p. 3277 - 3280

Downstream Synthesis Route 3

• 2105-94-4

• 320-76-3

Reference: [1]Bulletin de la Societe Chimique de France,1980,vol. 2,p. 175 - 178

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