4-Chlorobutyric acid - CAS 627-00-9
Catalog: |
BB031742 |
Product Name: |
4-Chlorobutyric acid |
CAS: |
627-00-9 |
Synonyms: |
4-chlorobutanoic acid |
IUPAC Name: | 4-chlorobutanoic acid |
Description: | 4-Chlorobutyric acid (CAS# 627-00-9) is an impurity of Levetiracetam(L331500) which is (S)-enantiomer of Etiracetam (E932970) and the ethyl analog of Piracetam (P500800). Used as an anticonvulsant. Neuroprotective & Neuroresearch Product. |
Molecular Weight: | 122.55 |
Molecular Formula: | C4H7ClO2 |
Canonical SMILES: | C(CC(=O)O)CCl |
InChI: | InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7) |
InChI Key: | IPLKGJHGWCVSOG-UHFFFAOYSA-N |
Boiling Point: | 196 °C22 mmHg (lit.) |
Melting Point: | 12-16 °C (lit.) |
Purity: | > 95.0 % (T) |
Density: | 1.24 g/cm3 |
MDL: | MFCD00002818 |
LogP: | 1.09000 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22589959 | 20120401 | 4-[(2-Carb-oxy-eth-yl)amino]-benzoic acid monohydrate | Acta crystallographica. Section E, Structure reports online |
20467558 | 20100101 | Synthesis, solution, and structural characterization of tetrahydrofuranyl-2,2-bisphosphonic acid disodium salt | Bioinorganic chemistry and applications |
17497914 | 20070607 | Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect | The journal of physical chemistry. B |
15766970 | 20050301 | Part I. Identifying anthropogenic markers in surface waters influenced by treated effluents: a tool in potable water reuse | Water research |
8081504 | 19940601 | Haloalkane degradation and assimilation by Rhodococcus rhodochrous NCIMB 13064 | Microbiology (Reading, England) |
Complexity: | 62.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.0134572 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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