2'-Hydroxy-5'-(trifluoromethoxy)acetophenone - CAS 146575-64-6
Catalog: |
BB010098 |
Product Name: |
2'-Hydroxy-5'-(trifluoromethoxy)acetophenone |
CAS: |
146575-64-6 |
Synonyms: |
1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone; 1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone |
IUPAC Name: | 1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone |
Description: | 2'-Hydroxy-5'-(trifluoromethoxy)acetophenone (CAS# 146575-64-6) is a useful research chemical. |
Molecular Weight: | 220.15 |
Molecular Formula: | C9H7F3O3 |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)OC(F)(F)F)O |
InChI: | InChI=1S/C9H7F3O3/c1-5(13)7-4-6(2-3-8(7)14)15-9(10,11)12/h2-4,14H,1H3 |
InChI Key: | FYWYHQOZXGAPSF-UHFFFAOYSA-N |
Boiling Point: | 231.4 °C at 760 mmHg |
Density: | 1.377 g/cm3 |
MDL: | MFCD01091002 |
LogP: | 2.49340 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (16.67%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (16.67%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (66.67%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2008322960-A1 | Equilibrative nucleoside transporter ENT1 inhibitors | 20071114 |
AU-2008322960-B2 | Equilibrative nucleoside transporter ENT1 inhibitors | 20071114 |
CA-2704423-A1 | Equilibrative nucleoside transporter ent1 inhibitors | 20071114 |
EA-017215-B1 | INHIBITORS OF EQUILIBRIUM NUCLEOOSID TRANSFER ENT1 | 20071114 |
EP-2209790-A2 | Equilibrative nucleoside transporter ent1 inhibitors | 20071114 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.03472857 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03472857 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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