a,a-Difluorophenylacetic acid ethyl ester - CAS 2248-46-6
Catalog: |
BB054381 |
Product Name: |
a,a-Difluorophenylacetic acid ethyl ester |
CAS: |
2248-46-6 |
Synonyms: |
ethyl difluoro(phenyl)acetate; ethyl alpha,alpha-difluorophenylacetate |
IUPAC Name: | ethyl 2,2-difluoro-2-phenylacetate |
Molecular Weight: | 200.183 |
Molecular Formula: | C10H10F2O2 |
Canonical SMILES: | CCOC(=O)C(C1=CC=CC=C1)(F)F |
InChI: | InChI=1S/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
InChI Key: | KCMSDCHUELUJPX-UHFFFAOYSA-N |
Boiling Point: | 209.3°C at 760 mmHg |
Density: | 1.719 g/cm3 |
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 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.06488588 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.06488588 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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