Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-05-19 03:28:19 UTC |
---|
Update Date | 2016-11-09 01:14:16 UTC |
---|
Accession Number | CHEM010800 |
---|
Identification |
---|
Common Name | Phenol, 4-bromo-2,5-dichloro- |
---|
Class | Small Molecule |
---|
Description | |
---|
Contaminant Sources | - HPV EPA Chemicals
- OECD HPV Chemicals
|
---|
Contaminant Type | Not Available |
---|
Chemical Structure | |
---|
Synonyms | Value | Source |
---|
Sodium 2,5-dichloro-4-bromophenol | MeSH | 2,5-Dichloro-4-bromophenol, potassium salt | MeSH | B 2 | MeSH | Phebrol | MeSH | 2,5-Dichloro-4-bromophenol, calcium salt | MeSH | 2,5-Dichloro-4-bromophenol, monoethanolamine salt | MeSH | 2,5-Dichloro-4-bromophenol | MeSH | 2,5-Dichloro-4-bromophenol, diethanolamine salt | MeSH | 2,5-Dichloro-4-bromophenol, sodium salt | MeSH |
|
---|
Chemical Formula | C6H3BrCl2O |
---|
Average Molecular Mass | 241.890 g/mol |
---|
Monoisotopic Mass | 239.874 g/mol |
---|
CAS Registry Number | 1940-42-7 |
---|
IUPAC Name | 4-bromo-2,5-dichlorophenol |
---|
Traditional Name | 2,5-dichloro-4-bromophenol |
---|
SMILES | OC1=C(Cl)C=C(Br)C(Cl)=C1 |
---|
InChI Identifier | InChI=1S/C6H3BrCl2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H |
---|
InChI Key | HWWKEEKUMAZJLL-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Benzene and substituted derivatives |
---|
Sub Class | Halobenzenes |
---|
Direct Parent | Dichlorobenzenes |
---|
Alternative Parents | |
---|
Substituents | - 1,4-dichlorobenzene
- 4-halophenol
- 3-halophenol
- 2-halophenol
- 3-chlorophenol
- 2-chlorophenol
- 4-bromophenol
- Bromobenzene
- Phenol
- 1-hydroxy-2-unsubstituted benzenoid
- Aryl halide
- Aryl chloride
- Aryl bromide
- Organobromide
- Organohalogen compound
- Organochloride
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Biological Properties |
---|
Status | Detected and Not Quantified |
---|
Origin | Not Available |
---|
Cellular Locations | Not Available |
---|
Biofluid Locations | Not Available |
---|
Tissue Locations | Not Available |
---|
Pathways | Not Available |
---|
Applications | Not Available |
---|
Biological Roles | Not Available |
---|
Chemical Roles | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Appearance | Not Available |
---|
Experimental Properties | Property | Value |
---|
Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0090000000-c57bd10800e601030d53 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0090000000-c57bd10800e601030d53 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-0190000000-622cd74b3f743e4570cd | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-fba23d4dc5bd42edf96b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0090000000-fba23d4dc5bd42edf96b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-0290000000-5ecd256b80f8b8ab84a5 | Spectrum |
|
---|
Toxicity Profile |
---|
Route of Exposure | Not Available |
---|
Mechanism of Toxicity | Not Available |
---|
Metabolism | Not Available |
---|
Toxicity Values | Not Available |
---|
Lethal Dose | Not Available |
---|
Carcinogenicity (IARC Classification) | Not Available |
---|
Uses/Sources | Not Available |
---|
Minimum Risk Level | Not Available |
---|
Health Effects | Not Available |
---|
Symptoms | Not Available |
---|
Treatment | Not Available |
---|
Concentrations |
---|
| Not Available |
---|
External Links |
---|
DrugBank ID | Not Available |
---|
HMDB ID | Not Available |
---|
FooDB ID | Not Available |
---|
Phenol Explorer ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
BiGG ID | Not Available |
---|
BioCyc ID | Not Available |
---|
METLIN ID | Not Available |
---|
PDB ID | Not Available |
---|
Wikipedia Link | Not Available |
---|
Chemspider ID | Not Available |
---|
ChEBI ID | Not Available |
---|
PubChem Compound ID | 16022 |
---|
Kegg Compound ID | Not Available |
---|
YMDB ID | Not Available |
---|
ECMDB ID | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
MSDS | Not Available |
---|
General References | Not Available |
---|