2-Chloroethyl chloroformate - CAS 627-11-2
Catalog: |
BB031752 |
Product Name: |
2-Chloroethyl chloroformate |
CAS: |
627-11-2 |
Synonyms: |
Carbonochloridic acid, 2-chloroethyl ester; Formic acid, chloro-, 2-chloroethyl ester; (2-Chloroethoxy)carbonyl chloride; 2-Chloroethyl chlorocarbonate; Chloroethyl chloroformate; Chloroformic acid 2-chloroethyl ester; β-Chloroethyl chloroformate |
Related CAS: | 1081786-38-0 (Deleted CAS)
|
IUPAC Name: | 2-chloroethyl carbonochloridate |
Description: | 2-Chloroethyl chloroformate (CAS# 627-11-2) is a reactant used in the preparation of artemisinin-derived dimer carbonates and thiocarbonates with antimalarial activity. |
Molecular Weight: | 142.97 |
Molecular Formula: | C3H4Cl2O2 |
Canonical SMILES: | C(CCl)OC(=O)Cl |
InChI: | InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2 |
InChI Key: | SVDDJQGVOFZBNX-UHFFFAOYSA-N |
Boiling Point: | 155°C |
Melting Point: | <25°C |
Purity: | ≥95% |
Density: | 1.3847 g/cm3 |
Solubility: | Soluble in Acetone, Benzene, Chloroform, Ether, Hexanes |
Appearance: | Colorless to Yellow Liquid |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00000646 |
LogP: | 1.60060 |
Vapor Pressure: | 13 mm Hg at 48-49 °C |
GHS Hazard Statement: | H314 (91.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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CN-111792996-A | Method for synthesizing chloroformate-2-chloroethyl by phosgene method | 20200610 |
PMID | Publication Date | Title | Journal |
21619795 | 20110101 | [An accident of chloroethyl chloroformate poisoning] | Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases |
Complexity: | 64 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.9588348 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.9588348 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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