Home/Chemicals/106-41-2

Chemical substance record

4-bromophenol

106-41-2C₆H₅BrO173.009 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A bromophenol containing only hydroxy and bromo substituents that are para to one another. — ChEBI

Safety references

Safety documents & references

1 indexed references

JP · NITE

Government GHS classification

H30-C-025-MOE · FY2018

View classification

Find a product-specific SDS

Search SDS PDFs Sigma-Aldrich Thermo Fisher

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values

CAS number	106-41-2	ChEBI ↗
Molecular formula	C₆H₅BrO	ChEBI ↗
Molar mass	173.009 g/mol	ChEBI ↗
Monoisotopic mass	171.95238 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:47248	ChEBI ↗

Names & structural identifiers

Copy any identifier

Source preferred name

4-bromophenol

InChIKey

GZFGOTFRPZRKDS-UHFFFAOYSA-N

SMILES

Oc1ccc(Br)cc1

InChI

InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H

Classification & relationships

ChEBI ontology

bromophenolChEBI parent class · 33624 ↗

phenols organic molecular entity

Roles recorded in ChEBI

mouse metabolitemarine metabolitehuman xenobiotic metabolitepersistent organic pollutanthuman urinary metaboliterat metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Safety classification · Japan

NITE / Japanese government

Japan · FY2018 source classification
p-Bromophenol · H30-C-025-MOE

Endpoint	Reported classification
Hazardous to the aquatic environment （Acute）	Category 2
Hazardous to the aquatic environment （Long-term）	Category 2

Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.

Read the original NITE classification

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00578005 mol

Uses 173.009 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

Br

Bromine · 1 atom

46.18%

C

Carbon · 6 atoms

41.66%

O

Oxygen · 1 atom

9.25%

H

Hydrogen · 5 atoms

2.91%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Crystal structures of cyclomaltohexaose (alpha-cyclodextrin) complexes with p-bromophenol and m-bromophenol. ↗Carbohydrate research · 2001 May 18 · PMID 11434383

Oxidation of 4-bromophenol by the recombinant fused protein cellulose-binding domain-horseradish peroxidase immobilized on cellulose. ↗Biotechnology and bioengineering · 2003 Apr 20 · PMID 12584764

Search PubMed Google Scholar

Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:47248

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

How this record was assembled Suggest a correction