4-Bromophenol

• CAS: 106-41-2
• Catalog Number: ACM106412
• Category: Other
• Molecular Weight: 173.01
• Molecular Formula: C6H5BrO
• Synonyms: p-Bromophenol
• IUPAC Name: 4-bromophenol
• Canonical SMILES: C1=CC(=CC=C1O)Br
• InChI: InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
• InChI Key: GZFGOTFRPZRKDS-UHFFFAOYSA-N
• Boiling Point: 238.0 °C;238 °C
• Melting Point: 66.4 °C;66.4 °C
• Density: 1.840 g/cu cm at 15 °C
• Solubility: 0.08 M;Freely soluble in alcohol, chloroform, ether, glacial acetic acid;In water, 1.4X10+4 mg/L at 25 °C
• Color/Form: Tetragonal bipyramidal crystals from chloroform or ether
• Complexity: 67
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 203-394-4
• Exact Mass: 171.9523
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• LogP: 2.59 (LogP);log Kow = 2.59
• Monoisotopic Mass: 171.9523
• NSC Number: 4970
• Other Experimental: Density: 1.5875 at 80 °C;Small amounts of water depress the MP considerably and may prevent crystallization;Henry's Law constant = 1.51X10-7 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 9.69X10-12 cu cm/molec-sec at 25 °C (est)
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 20.2 Ų
• UNII: LAO4J0183I
• Vapor Pressure: 0.01 mmHg;1.17X10-2 mm Hg at 25 °C
• XLogP3: 2.6
• XLogP3-AA: 2.6

Custom Q&A

What is the PubChem CID of 4-bromophenol?

The PubChem CID of 4-bromophenol is 7808.

What is the molecular formula of 4-bromophenol?

The molecular formula of 4-bromophenol is C6H5BrO.

What is the molecular weight of 4-bromophenol?

The molecular weight of 4-bromophenol is 173.01 g/mol.

What are some synonyms of 4-bromophenol?

Some synonyms of 4-bromophenol include p-Bromophenol, Phenol, 4-bromo-, and p-Bromohydroxybenzene.

Does 4-bromophenol have any biological roles or metabolites?

Yes, 4-bromophenol has biological roles as a mouse metabolite, a persistent organic pollutant, a human xenobiotic metabolite, a rat metabolite, a human urinary metabolite, and a marine metabolite.

In which organisms can 4-bromophenol be found as a natural product?

4-bromophenol can be found as a natural product in Euglena gracilis, Ulva lactuca, and Bos taurus.

What is the IUPAC name of 4-bromophenol?

The IUPAC name of 4-bromophenol is 4-bromophenol.

What is the InChIKey of 4-bromophenol?

The InChIKey of 4-bromophenol is GZFGOTFRPZRKDS-UHFFFAOYSA-N.

What is the canonical SMILES representation of 4-bromophenol?

The canonical SMILES representation of 4-bromophenol is C1=CC(=CC=C1O)Br.

What is the CAS number of 4-bromophenol?

The CAS number of 4-bromophenol is 106-41-2.