| Pubchem Sid | 504765575 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765575 |
| Canonical Smiles | C(C(=O)O)Br |
| IUPAC Name | 2-bromoacetic acid |
| InChIKey | KDPAWGWELVVRCH-VQEHIDDOSA-N |
| INCHI | 1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i2+1 |
| Isomeric SMILES | C([13C](=O)O)Br |
| WGK Germany | 2 |
| Molecular Weight | 139.94 |
| Reaxy-Rn | 506167 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506167&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Alpha-halocarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-halocarboxylic acids |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom. |
| External Descriptors | Not available |
| Sensitivity | Moisture sensitive. |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 208 °C |
| Melt Point(°C) | 47 - 49 °C |
| Molecular Weight | 139.940 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 138.935 Da |
| Monoisotopic Mass | 138.935 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 42.900 |
| Isotope Atom Count | 1 |
| 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 |
I2208616