5-Chlorovaleric acid - CAS 1119-46-6
Catalog: |
BB002832 |
Product Name: |
5-Chlorovaleric acid |
CAS: |
1119-46-6 |
Synonyms: |
5-chloropentanoic acid |
IUPAC Name: | 5-chloropentanoic acid |
Description: | 5-Chlorovaleric acid (CAS# 1119-46-6) is used in the synthesis of β-cyclodextrins linked with a cyclohexyl group via an aza-Wittig reaction. |
Molecular Weight: | 136.58 |
Molecular Formula: | C5H9ClO2 |
Canonical SMILES: | C(CCCl)CC(=O)O |
InChI: | InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8) |
InChI Key: | YSXDKDWNIPOSMF-UHFFFAOYSA-N |
Boiling Point: | 138-146 °C |
Purity: | > 96.0 % (GC) (T) |
Density: | 1.342 g/cm3 |
Appearance: | Crystals |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00004415 |
LogP: | 1.48010 |
GHS Hazard Statement: | H315 (93.18%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113484445-A | Method for detecting content of 5-chloropentanoic acid | 20210803 |
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PMID | Publication Date | Title | Journal |
23030435 | 20130101 | Synthesis of hapten and production of a monoclonal antibody against a derivative of L-hydroxyproline, a special amino acid in hydrolyzed animal protein | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes |
20439146 | 20101102 | Development and validation of a specific and sensitive GC-FID method for the determination of impurities in 5-chlorovaleroyl chloride | Journal of pharmaceutical and biomedical analysis |
17497914 | 20070607 | Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect | The journal of physical chemistry. B |
Complexity: | 72.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.0291072 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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