HuagongsheHuagongshe Chemistry Print Report · For research reference only
Quinoline-2-carbonitrile
2-QUINOLINECARBONITRILE · Quinaldonitrile · 2-Cyanoquinoline · Quinolinecarbonitrile · quinolin-2-carbonitrile · Quinoline-2-Carbinitrile · Quinoline-2-carbonitrile · Quinoline-2-carbonitrile 97%
Identifiers & Physical Properties
| CAS No. | 1436-43-7 |
|---|---|
| Molecular formula | C10H6N2 |
| Average molar mass | 154.17 g/mol |
| Monoisotopic mass | 154.05309819 g/mol |
| SMILES | N#Cc1ccc2ccccc2n1 |
| InChIKey | WDXARTMCIRVMAE-UHFFFAOYSA-N |
| PubChem CID | 74031 |
| EC No. | 215-865-1 |
| DTXSID | DTXSID00162475 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 36.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 203 |
| LogP (partition coefficient) | 1.6 |
| Melting point | 93-95 °C (lit.) |
| Boiling point | 160°C 23mm |
| Density | 1.21 |
| Refractive index | 1.4820 (estimate) |
| Flash point | 160°C/23mm |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | -0.56±0.40(Predicted) |
| Color | White to Orange to Green |
| Solubility | Insoluble in water. |
| BRN | 115213 |
| InChI | 1S/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H |
| InChIKey | WDXARTMCIRVMAE-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc2ccccc2n1 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302+H312+H332-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-36 |
| UN transport number | 3439 |
| Water hazard class (WGK) | 3 |
| Hazard class | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 2933499090 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| UN transport number | 3439 |
| Customs code | 2933499090 |
| Risk statements (R) | 20/21/22-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| Safety statements (S) | 26-36 |
| Hazard class | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H302+H312+H332-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
Applications & Uses
Uses
Quinoline-2-carbonitrile is used to produce quinoline-2-carboxylic acid amide. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
General Description
Mechanism of the photoinduced substitution reaction of 2-quinolinecarbonitrile in alcohols or ethers has been reported. Photoinitiated dimerization of 2-quinolinecarbonitrile in HCl-acidified 2-propanol/water has been investigated at 77K and 331K. Benzophenone-sensitization of 2-quinolinecarbonitrile has been reported to yield triazapentaphene.