Methyl 4-chloroacetoacetate - CAS 32807-28-6
Catalog: |
BB021420 |
Product Name: |
Methyl 4-chloroacetoacetate |
CAS: |
32807-28-6 |
Synonyms: |
methyl 4-chloro-3-oxobutanoate |
IUPAC Name: | methyl 4-chloro-3-oxobutanoate |
Description: | γ-Chloroacetic acid derivative with acute toxicity used in the preparation of insecticides. |
Molecular Weight: | 150.56 |
Molecular Formula: | C5H7ClO3 |
Canonical SMILES: | COC(=O)CC(=O)CCl |
InChI: | InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3 |
InChI Key: | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
Boiling Point: | 212-213 °C |
Melting Point: | 14-16 °C |
Purity: | 98 % |
Density: | 1.287 g/cm3 |
Appearance: | Colorless to yellow-orange liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
LogP: | 0.35740 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113248375-A | Preparation method of 4-chloroacetoacetic acid methyl ester | 20210517 |
CN-214287539-U | Multifunctional tail gas absorption tower for methyl chloroacetoacetate production | 20210120 |
CN-112624923-A | Preparation method of 4-methoxy methyl acetoacetate | 20201217 |
CN-112500336-A | Preparation method of dolutegravir mother nucleus intermediate | 20201215 |
CN-112500290-A | Method for synthesizing 4-chloroacetoacetic acid methyl ester or 4-chloroacetoacetic acid ethyl ester | 20201202 |
PMID | Publication Date | Title | Journal |
18684335 | 20080807 | Yeast cell factories for fine chemical and API production | Microbial cell factories |
12217023 | 20020901 | Traceless solid-phase synthesis of bicyclic dihydropyrimidones using multidirectional cyclization cleavage | Journal of combinatorial chemistry |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.0083718 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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