Benzyl cyanoacetate - CAS 14447-18-8
Catalog: |
BB009781 |
Product Name: |
Benzyl cyanoacetate |
CAS: |
14447-18-8 |
Synonyms: |
benzyl 2-cyanoacetate |
IUPAC Name: | benzyl 2-cyanoacetate |
Description: | Benzyl cyanoacetate (CAS# 14447-18-8) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)CC#N |
InChI: | InChI=1S/C10H9NO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6,8H2 |
InChI Key: | RCUIWQWWDLZNMS-UHFFFAOYSA-N |
Boiling Point: | 94-96 °C / 3.5 mmHg |
Density: | 1.151 g/cm3 |
MDL: | MFCD00051719 |
LogP: | 1.64348 |
GHS Hazard Statement: | H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021201054-A1 | Non-aqueous electrolyte for battery, precursor for lithium secondary battery, method for manufacturing lithium secondary battery, lithium secondary battery, phosphazene compound, and additive for battery | 20200331 |
GB-2589910-A | Process for preparing cyanoacetates | 20191212 |
WO-2021116128-A1 | Process for preparing cyanoacetates | 20191212 |
GB-2583135-A | Process for preparing cyanoacetates | 20190418 |
GB-2583145-A | Process for preparing cyanoacetates | 20190418 |
PMID | Publication Date | Title | Journal |
22057086 | 20120104 | Decarboxylative benzylation and arylation of nitriles | Chemical communications (Cambridge, England) |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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