Methyl 4-(4-fluorophenyl)-2,4-dioxobutanoate - CAS 39757-34-1
Catalog: |
BB047243 |
Product Name: |
Methyl 4-(4-fluorophenyl)-2,4-dioxobutanoate |
CAS: |
39757-34-1 |
Synonyms: |
methyl 4-(4-fluorophenyl)-2,4-diketobutyrate; 4-(4-Fluoro-phenyl)-2,4-dioxo-butyric acid methyl ester; methyl 4-(4-fluorophenyl]-2,4-diketobutanoate |
IUPAC Name: | methyl 4-(4-fluorophenyl)-2,4-dioxobutanoate |
Description: | Methyl 4-(4-fluorophenyl)-2,4-dioxobutanoate (CAS# 39757-34-1 ) is a useful research chemical. |
Molecular Weight: | 224.18 |
Molecular Formula: | C11H9FO4 |
Canonical SMILES: | COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)F |
InChI: | InChI=1S/C11H9FO4/c1-16-11(15)10(14)6-9(13)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3 |
InChI Key: | PAEDUWHKVNTJMJ-UHFFFAOYSA-N |
Boiling Point: | 348.7 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.278 g/cm3 |
Appearance: | Solid |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.04848693 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.04848693 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 60.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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