1-Chlorocarbonyl-1-methylethyl acetate - CAS 40635-66-3
Catalog: |
BB024597 |
Product Name: |
1-Chlorocarbonyl-1-methylethyl acetate |
CAS: |
40635-66-3 |
Synonyms: |
(1-chloro-2-methyl-1-oxopropan-2-yl) acetate |
IUPAC Name: | (1-chloro-2-methyl-1-oxopropan-2-yl) acetate |
Description: | 1-Chlorocarbonyl-1-methylethyl acetate (CAS# 40635-66-3) is a useful research chemical for organic synthesis and other chemical processes. A reagent for converting cis-diols to trans-chloroacetates, and in the preparation of aminoimidazopyrazine C-nucleosides and deoxy-sugars. |
Molecular Weight: | 164.59 |
Molecular Formula: | C6H9ClO3 |
Canonical SMILES: | CC(=O)OC(C)(C)C(=O)Cl |
InChI: | InChI=1S/C6H9ClO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3 |
InChI Key: | RBTCRFLJLUNCLL-UHFFFAOYSA-N |
Boiling Point: | 55-56 °C (6 mmHg) |
Purity: | 95 % |
Density: | 1.136 g/cm3 |
Appearance: | Clear colorless liquid |
Storage: | 2-8 °C |
MDL: | MFCD00000708 |
LogP: | 1.09350 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112646475-A | Preparation and application methods of flame-retardant wear-resistant low-VOC (volatile organic compound) polyurethane coating | 20201231 |
CN-112646475-B | Preparation and application methods of flame-retardant wear-resistant low-VOC (volatile organic compound) polyurethane coating | 20201231 |
CN-112708706-A | Manufacturing process of flame-retardant, wear-resistant, anti-sticking and low-VOC (volatile organic compound) automobile cushion leather | 20201231 |
WO-2021166934-A1 | Production method for pyrrolidine compound | 20200218 |
CN-110963915-A | Preparation process of 2-acetoxy isobutyryl bromide | 20191113 |
PMID | Publication Date | Title | Journal |
17199284 | 20070110 | Highly diastereoselective synthesis of nucleoside adducts from the carcinogenic benzo[a]pyrene diol epoxide and a computational analysis | Journal of the American Chemical Society |
12885123 | 20030401 | Synthesis of triazole nucleoside derivatives | Nucleosides, nucleotides & nucleic acids |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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