2-Acetonaphthone - CAS 93-08-3
Catalog: |
BB040767 |
Product Name: |
2-Acetonaphthone |
CAS: |
93-08-3 |
Synonyms: |
1-naphthalen-2-ylethanone |
IUPAC Name: | 1-naphthalen-2-ylethanone |
Description: | 2-Acetonaphthone (CAS# 93-08-3) is an intermediate used to prepare piperidinyl pyrazoles as potent DNA gyrase inhibitors It is also used in the synthesis of aromatic enone and dienone analogues of curcumin as angiogenesis inhibitors. |
Molecular Weight: | 170.21 |
Molecular Formula: | C12H10O |
Canonical SMILES: | CC(=O)C1=CC2=CC=CC=C2C=C1 |
InChI: | InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3 |
InChI Key: | XSAYZAUNJMRRIR-UHFFFAOYSA-N |
Boiling Point: | 300-301 °C |
Melting Point: | 53-56 °C |
Flash Point: | 168°C |
Purity: | 95 % |
Density: | 1.12 g/mL at 25°C(lit.) |
Solubility: | water, 226.1 mg/L @ 25 °C (est) |
Appearance: | White to light yellow powder |
Storage: | Keep containers tightly closed. Store in a cool, dry area away from incompatible substances. |
MDL: | MFCD00004108 |
LogP: | 3.04240 |
Refractive Index: | n20/D 1.628(lit.) |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H302 (42.83%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (23.64%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (14.53%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (16.09%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H411 (78.68%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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