Ethyl 3,5-difluorobenzoylformate - CAS 208259-57-8
Catalog: |
BB016331 |
Product Name: |
Ethyl 3,5-difluorobenzoylformate |
CAS: |
208259-57-8 |
Synonyms: |
ethyl 2-(3,5-difluorophenyl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(3,5-difluorophenyl)-2-oxoacetate |
Description: | Ethyl 3,5-difluorobenzoylformate (CAS# 208259-57-8 ) is a useful research chemical. |
Molecular Weight: | 214.17 |
Molecular Formula: | C10H8F2O3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CC(=CC(=C1)F)F |
InChI: | InChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)6-3-7(11)5-8(12)4-6/h3-5H,2H2,1H3 |
InChI Key: | JPTHBXHXKOKMTE-UHFFFAOYSA-N |
Boiling Point: | 247.4 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.27 g/cm3 |
MDL: | MFCD01319620 |
LogP: | 1.71060 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2012262014-A1 | Novel immune system modulators | 20110601 |
EP-2713736-A1 | Novel immune system modulators | 20110601 |
KR-102052215-B1 | Novel immune system modulators | 20110601 |
KR-20140068814-A | Novel immune system modulators | 20110601 |
RU-2606114-C2 | Novel immune system modulators related applications | 20110601 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.04415044 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.04415044 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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