Benzoyl cyanide - CAS 613-90-1
Catalog: |
BB031081 |
Product Name: |
Benzoyl cyanide |
CAS: |
613-90-1 |
Synonyms: |
benzoyl cyanide |
IUPAC Name: | benzoyl cyanide |
Description: | Benzoyl cyanide (CAS# 613-90-1) is a useful research chemical. |
Molecular Weight: | 131.13 |
Molecular Formula: | C8H5NO |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C#N |
InChI: | InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H |
InChI Key: | GJQBHOAJJGIPRH-UHFFFAOYSA-N |
Boiling Point: | 206 °C |
Melting Point: | 29-32 °C |
Purity: | 98 % |
Density: | 1.106 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Yellow solid. |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. |
MDL: | MFCD00001837 |
LogP: | 1.39288 |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113476898-A | Device and method for preparing methyl oxophenylacetate | 20210722 |
CN-112816604-A | Analysis method of lamotrigine potential genotoxicity impurities | 20210112 |
CN-112390696-A | Method for preparing alpha-aminonitrile, product and application thereof | 20201119 |
CN-212819873-U | Solid-liquid mixing reaction device | 20200717 |
CN-111393291-A | Novel synthesis method of α -carbonyl acid ester | 20200430 |
PMID | Publication Date | Title | Journal |
22033370 | 20120701 | Biosynthesis of benzoylformic acid from benzoyl cyanide by a newly isolated Rhodococcus sp. CCZU10-1 in toluene-water biphasic system | Bioresource technology |
22685659 | 20120101 | Probing Retroviral and Retrotransposon Genome Structures: The 'SHAPE' of Things to Come | Molecular biology international |
22701543 | 20120101 | RNA folding and catalysis mediated by iron (II) | PloS one |
21882876 | 20111012 | A powerful approach for the selection of 2-aminopurine substitution sites to investigate RNA folding | Journal of the American Chemical Society |
21344179 | 20110301 | Release of hydrogen cyanide via a post-secretion Schotten-Baumann reaction in defensive fluids of polydesmoid millipedes | Journal of chemical ecology |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 131.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 131.037113783 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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