Cinnamonitrile - CAS 1885-38-7
Catalog: |
BB014523 |
Product Name: |
Cinnamonitrile |
CAS: |
1885-38-7 |
Synonyms: |
(E)-3-phenylprop-2-enenitrile |
IUPAC Name: | (E)-3-phenylprop-2-enenitrile |
Description: | The parent compound whose derivatives can be applied as corrosion inhibitors for API J55 steel. |
Molecular Weight: | 129.16 |
Molecular Formula: | C9H7N |
Canonical SMILES: | C1=CC=C(C=C1)C=CC#N |
InChI: | InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+ |
InChI Key: | ZWKNLRXFUTWSOY-QPJJXVBHSA-N |
Boiling Point: | 254-255 °C |
Melting Point: | 18-20 °C |
Flash Point: | 126°C |
Purity: | 95 % |
Density: | 1.028 g/cm3 |
Appearance: | Clear colourless to yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
LogP: | 2.22338 |
Refractive Index: | 1.6-1.602 |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
GHS Hazard Statement: | H301 (98.39%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P310, P302+P352, P312, P321, P322, P330, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113457708-A | CoN @ C porous material, preparation method thereof and application of CoN @ C porous material in synthesis of aromatic nitrile compound | 20210630 |
CN-113292454-A | AIE molecule with cinnamonitrile as framework structure and preparation method and application thereof | 20210603 |
CN-112961079-A | Method for dehydrating primary amide into nitriles by cobalt catalysis | 20210304 |
CN-112522245-A | Modification and application of nitrile hydratase amino acid motif | 20201209 |
CN-112322606-A | Nitrile hydratase mutant and application thereof | 20201120 |
PMID | Publication Date | Title | Journal |
22466421 | 20120401 | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles | Nature chemical biology |
21718064 | 20110801 | Influence of the electronic characteristics of N-donor ligands in the excited state of heteronuclear gold(I)-copper(I) systems | Inorganic chemistry |
20725724 | 20110101 | A nitrilase from a metagenomic library acts regioselectively on aliphatic dinitriles | Applied microbiology and biotechnology |
20652185 | 20100921 | Direct oxidative coupling of benzenes with acrylonitriles to cinnamonitriles catalyzed by Pd(OAc)(2)/HPMoV/O(2) system | Organic & biomolecular chemistry |
19831423 | 20091120 | Abundant lattice inclusion phenomenon with sterically hindered and inherently shape-selective tetraarylpyrenes | The Journal of organic chemistry |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 129.057849228 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.057849228 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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