Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate - CAS 126085-91-4
Catalog: |
BB006426 |
Product Name: |
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate |
CAS: |
126085-91-4 |
Synonyms: |
ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate |
IUPAC Name: | ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate |
Description: | Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate (CAS# 126085-91-4) is a useful research chemical compound. |
Molecular Weight: | 430.17 |
Molecular Formula: | C18H33NO3Sn |
Canonical SMILES: | CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C(=O)OCC |
InChI: | InChI=1S/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3; |
InChI Key: | LDFBGRFJCWKQCA-UHFFFAOYSA-N |
Boiling Point: | 446.3 °C at 760 mmHg |
Flash Point: | 199.4 °F |
Purity: | 95 % |
Density: | 1.209 g/cm3 |
Appearance: | Yellow to brown viscous liquid |
LogP: | 4.90740 |
Refractive Index: | n20/D 1.534 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H312 (100%): 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]; H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P273 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P305 + P351 + P338 - P314 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2019330198-A1 | Compounds and uses thereof | 20180425 |
WO-2019209962-A1 | Compounds and uses thereof | 20180425 |
CN-112566636-A | Compound and use thereof | 20180425 |
EP-3784234-A1 | Compounds and uses thereof | 20180425 |
US-10919885-B2 | Compounds and uses thereof | 20180425 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 431.148246 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 431.148246 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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