2-Bromooctanoic acid - CAS 2623-82-7
Catalog: |
BB019210 |
Product Name: |
2-Bromooctanoic acid |
CAS: |
2623-82-7 |
Synonyms: |
Octanoic acid, 2-bromo-; (±)-2-Bromooctanoic acid; (±)-α-Bromooctanoic acid; 2-Bromocaprylic acid; α-Bromooctanoic acid |
Related CAS: | 70610-87-6 (Deleted CAS)
|
IUPAC Name: | 2-bromooctanoic acid |
Molecular Weight: | 223.11 |
Molecular Formula: | C8H15BrO2 |
Canonical SMILES: | CCCCCCC(C(=O)O)Br |
InChI: | InChI=1S/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11) |
InChI Key: | GTGTXZRPJHDASG-UHFFFAOYSA-N |
Boiling Point: | 118-121°C at 0.6 Torr |
Density: | 1.321±0.06 g/cm3 |
MDL: | MFCD00004219 |
LogP: | 2.80490 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112457188-A | Carboxylic acid compound and preparation method and application thereof | 20201124 |
CN-111592459-A | Carboxylic acid compound, preparation method and application thereof | 20200628 |
CN-111592459-B | Carboxylic acid compound, preparation method and application thereof | 20200628 |
CN-111489896-A | High-voltage all-solid-state aluminum electrolytic capacitor and preparation method thereof | 20200504 |
WO-2021201196-A1 | Film-forming composition | 20200331 |
PMID | Publication Date | Title | Journal |
21857959 | 20110101 | High-throughput screening of Australian marine organism extracts for bioactive molecules affecting the cellular storage of neutral lipids | PloS one |
16260095 | 20051201 | Polyhydroxyalkanoate accumulating diversity of Pseudomonas species utilising aromatic hydrocarbons | FEMS microbiology letters |
16279941 | 20051101 | Metabolic control analysis reveals an important role for diacylglycerol acyltransferase in olive but not in oil palm lipid accumulation | The FEBS journal |
11223395 | 20010201 | Effects of short chain fatty acids on colonic Na+ absorption and enzyme activity | Comparative biochemistry and physiology. Part A, Molecular & integrative physiology |
11990544 | 20010201 | Extraction of bismuth(III) with 2-bromoalkanoic acid in nondonating solvent from highly acidic aqueous solution | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.02554 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.02554 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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