quinoline-6-carbonitrile - CAS 23395-72-4
Catalog: |
BB018038 |
Product Name: |
quinoline-6-carbonitrile |
CAS: |
23395-72-4 |
Synonyms: |
6-quinolinecarbonitrile; quinoline-6-carbonitrile |
IUPAC Name: | quinoline-6-carbonitrile |
Description: | quinoline-6-carbonitrile (CAS# 23395-72-4) is used in the preparation of aromatic nitriles. |
Molecular Weight: | 154.17 |
Molecular Formula: | C10H6N2 |
Canonical SMILES: | C1=CC2=C(C=CC(=C2)C#N)N=C1 |
InChI: | InChI=1S/C10H6N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H |
InChI Key: | NIFLNJLWZZABMI-UHFFFAOYSA-N |
Boiling Point: | 323.7 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09999543 |
LogP: | 2.10648 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3604326-A1 | Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound | 20170321 |
US-2020040039-A1 | Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound | 20170321 |
WO-2018116072-A1 | Heterocyclic compounds | 20161220 |
EP-3183250-A1 | Process for preparing crystalline organic semiconductor material | 20140818 |
US-10224485-B2 | Process for preparing a crystalline organic semiconductor material | 20140818 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0530982 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0530982 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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