3-Bromo-5-fluorophenol

• CAS: 433939-27-6
• Catalog Number: ACM433939276
• Category: Bromine Series
• Molecular Weight: 191
• Molecular Formula: C₆H₄OBrF
• Synonyms: 3-Bromo-5-fluorophenol, 3-Fluoro-5-Bromophenol, 433939-27-6, 5-Bromo-3-fluorophenol, AG-F-53628, PubChem4129, ACMC-1APWB, SureCN393819, KSC493M6T, CTK3J3669, MolPort-001-773-363, ACN-S003489, ACT11630, ANW-29982, CL8478, SBB091220, ZINC12957254, AKOS005254559, AC-3758, AS01363
• IUPAC Name: 3-bromo-5-fluorophenol
• Canonical SMILES: C1=C(C=C(C=C1F)Br)O
• InChI Key: JCPJGUPQZDEZQH-UHFFFAOYSA-N
• Boiling Point: 231.089ºC at 760 mmHg
• Melting Point: 42ºC
• Flash Point: 110ºC
• Density: 1.764g/cm³
• Exact Mass: 189.94300
• Hazard Statements: Xi,Xn
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Safety Description: S26

Custom Q&A

What is the molecular formula of 3-Bromo-5-fluorophenol?

The molecular formula of 3-Bromo-5-fluorophenol is C6H4BrFO.

What is the molecular weight of 3-Bromo-5-fluorophenol?

The molecular weight of 3-Bromo-5-fluorophenol is 191.00 g/mol.

What is the IUPAC name of 3-Bromo-5-fluorophenol?

The IUPAC name of 3-Bromo-5-fluorophenol is 3-bromo-5-fluorophenol.

What is the InChI of 3-Bromo-5-fluorophenol?

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

What is the InChIKey of 3-Bromo-5-fluorophenol?

The InChIKey of 3-Bromo-5-fluorophenol is JCPJGUPQZDEZQH-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-5-fluorophenol?

The canonical SMILES of 3-Bromo-5-fluorophenol is C1=C(C=C(C=C1F)Br)O.

What is the CAS number of 3-Bromo-5-fluorophenol?

The CAS number of 3-Bromo-5-fluorophenol is 433939-27-6.

What is the European Community (EC) number of 3-Bromo-5-fluorophenol?

The European Community (EC) number of 3-Bromo-5-fluorophenol is 627-426-5.

What is the DSSTox Substance ID of 3-Bromo-5-fluorophenol?

The DSSTox Substance ID of 3-Bromo-5-fluorophenol is DTXSID60619814.

Is 3-Bromo-5-fluorophenol a canonicalized compound?

Yes, 3-Bromo-5-fluorophenol is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 461-96-1

• 433939-27-6

Reference: [1] Patent: WO2007/62308, 2007, A2, . Location in patent: Page/Page column 220-221

Upstream Synthesis Route 2

• 130722-44-0

• 433939-27-6

Reference: [1] Patent: US2004/19033, 2004, A1, . Location in patent: Page/Page column 32

Upstream Synthesis Route 3

• 29578-39-0

• 433939-27-6

Reference: [1] Patent: US2008/261941, 2008, A1, . Location in patent: Page/Page column 43

Upstream Synthesis Route 4

• 130722-44-0

• 433939-27-6

Reference: [1]Patent: US2004/19033,2004,A1 .Location in patent: Page/Page column 32

Downstream Synthesis Route 1

• 433939-27-6
• 75-45-6

• 433939-28-7

Reference: [1]Patent: US2004/19033,2004,A1 .Location in patent: Page/Page column 32-33

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