≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
It is used in the synthesis and characterization of monoisomeric 1,8,15,22-substituted (A3B and A2B2) phthalocyanines and phthalocyanine-fullerene dyads.
| パブケム・シド | 488192056 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/488192056 |
| カノニカル・スマイル | C1=CC(=CC(=C1)Br)CCC(=O)O |
| IUPAC Name | 3-(3-bromophenyl)propanoic acid |
| InChIKey | DWKWMFSWLCIMKI-UHFFFAOYSA-N |
| INCHI | 1S/C9H9BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12) |
| 異性体SMILES | C1=CC(=CC(=C1)Br)CCC(=O)O |
| WGKドイツ | 3 |
| PubChem CID | 2063862 |
| 分子量 | 229.07 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| 分類 | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Bromobenzenes Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 G2219874 | Certificate of Analysis | Feb 04, 2026 | W135520 |
| G2220102 | Certificate of Analysis | Feb 04, 2026 | W135520 |
| K1928053 | Certificate of Analysis | Apr 09, 2025 | W135520 |
| E2309129 | Certificate of Analysis | Feb 11, 2025 | W135520 |
| K2004184 | Certificate of Analysis | Jun 19, 2024 | W135520 |
| K2004183 | Certificate of Analysis | Jun 19, 2024 | W135520 |
| E1624078 | Certificate of Analysis | Oct 16, 2023 | W135520 |
| 溶解度 | Insoluble in water. |
|---|---|
| 融点（°C） | 72-76°C |
| 分子量 | 229.070 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 227.979 Da |
| Monoisotopic Mass | 227.979 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
