Chloromethyl Butyrate - CAS 33657-49-7
Catalog: |
BB021812 |
Product Name: |
Chloromethyl Butyrate |
CAS: |
33657-49-7 |
Synonyms: |
butanoic acid chloromethyl ester; chloromethyl butanoate |
IUPAC Name: | chloromethyl butanoate |
Description: | Chloromethyl Butyrate (CAS# 33657-49-7) is a useful research chemical. |
Molecular Weight: | 136.58 |
Molecular Formula: | C5H9ClO2 |
Canonical SMILES: | CCCC(=O)OCCl |
InChI: | InChI=1S/C5H9ClO2/c1-2-3-5(7)8-4-6/h2-4H2,1H3 |
InChI Key: | BDPZFQLKFUONAG-UHFFFAOYSA-N |
Boiling Point: | 150 °C |
Density: | 1.09 g/cm3 |
Appearance: | Liquid |
LogP: | 1.52600 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111423362-A | Preparation method of two high-purity clevidipine butyrate impurities | 20200311 |
WO-2021087113-A1 | Local anesthetics with selective-sensory nerve blockade | 20191030 |
CN-110615757-A | Preparation method of dihydropyridine compound | 20190919 |
CN-110615757-B | Preparation method of dihydropyridine compound | 20190919 |
CN-110339164-A | Ketorolac ester derivative intravenous injection fatty emulsion, preparation method and application | 20190731 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.0291072 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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