Ethyl (2-chlorobenzoyl)acetate - CAS 19112-35-7
Catalog: |
BB014787 |
Product Name: |
Ethyl (2-chlorobenzoyl)acetate |
CAS: |
19112-35-7 |
Synonyms: |
ethyl 3-(2-chlorophenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(2-chlorophenyl)-3-oxopropanoate |
Description: | Ethyl (2-chlorobenzoyl)acetate (CAS# 19112-35-7) is a useful research chemical. |
Molecular Weight: | 226.66 |
Molecular Formula: | C11H11ClO3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC=CC=C1Cl |
InChI: | InChI=1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3 |
InChI Key: | DLFBNTUSDQSFOF-UHFFFAOYSA-N |
Boiling Point: | 280.1 ℃ at 760 mmHg |
Density: | 1.206 g/mL at 25 ℃ (lit.) |
Appearance: | Colorless liquid |
MDL: | MFCD03424811 |
LogP: | 2.47590 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019141552-A1 | Herbicidal triazine compounds | 20180118 |
AU-2016232330-A1 | KV1.3 inhibitors and their medical application | 20150313 |
AU-2016232330-B2 | KV1.3 inhibitors and their medical application | 20150313 |
AU-2016232338-A1 | Kv1.3 inhibitors and their medical application | 20150313 |
CA-2979501-A1 | Kv1.3 inhibitors and their medical application | 20150313 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.0396719 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.0396719 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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