| Pubchem Sid | 504756376 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756376 |
| Canonical Smiles | CCOC(=O)C1(CCC1)Br |
| IUPAC Name | ethyl 1-bromocyclobutane-1-carboxylate |
| InChIKey | UTVNSHXHFRIXMM-UHFFFAOYSA-N |
| INCHI | 1S/C7H11BrO2/c1-2-10-6(9)7(8)4-3-5-7/h2-5H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1(CCC1)Br |
| WGK Germany | 3 |
| Molecular Weight | 207.07 |
| Reaxy-Rn | 1934572 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1934572&ln= |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Alpha-halocarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-halocarboxylic acid derivatives |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K1921114 | Certificate of Analysis | Jun 07, 2023 | E169805 |
| Sensitivity | air sensitive ;heat sensitive |
|---|---|
| Refractive Index | 1.471 |
| Flash Point(°F) | 174.2 °F |
| Flash Point(°C) | 79 °C |
| Boil Point(°C) | 88°C/12mmHg |
| Molecular Weight | 207.060 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 205.994 Da |
| Monoisotopic Mass | 205.994 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| 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 |
