Chloromethyl Laurate - CAS 61413-67-0
Catalog: |
BB069980 |
Product Name: |
Chloromethyl Laurate |
CAS: |
61413-67-0 |
Synonyms: |
Dodecanoic Acid Chloromethyl Ester; Chloromethyl Dodecanoate; Dodecanoyloxymethyl Chloride |
IUPAC Name: | chloromethyl dodecanoate |
Description: | Chloromethyl Laurate is used as a reagent in the synthesis of levofloxacin derivatives as potential antitumor agents. Also used as a reagent in the synthesis of prodrugs of Norbormide (N661150). |
Molecular Weight: | 248.79 |
Molecular Formula: | C13H25ClO2 |
Canonical SMILES: | CCCCCCCCCCCC(=O)OCCl |
InChI: | InChI=1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-13(15)16-12-14/h2-12H2,1H3 |
InChI Key: | XCHDYWCWXAASER-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
Appearance: | Colourless Oil to Off-White Low-Melting Solid |
Storage: | 4°C, Hygroscopic |
References: | Korolyov, A., et al. Bioorg. Med. Chem., 18, 8537 (2010); Rennison, D., et al. Bioorg. Med. Chem., 20, 3997 (2012). |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.1543077 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.1543077 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6 |
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