HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Naphthalenecarbonitrile
2-CYANONAPHTHALENE · NSC4169 · NSC 4169 · NSC-4169 · 2-phthonitrile · B-NAPHTHONITRILE · 2-NAPHTHONITRILE · 2-Naphthonitirle
Identifiers & Physical Properties
| CAS No. | 613-46-7 |
|---|---|
| Molecular formula | C11H7N |
| Average molar mass | 153.18 g/mol |
| Monoisotopic mass | 153.05784922 g/mol |
| SMILES | N#Cc1ccc2ccccc2c1 |
| InChIKey | AZKDTTQQTKDXLH-UHFFFAOYSA-N |
| PubChem CID | 11944 |
| EC No. | 210-344-5 |
| DTXSID | DTXSID7060621 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 23.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 200 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Melting point | 63-68 °C |
| Boiling point | 156-158°C 12mm |
| Density | 1.0755 |
| Refractive index | 1.6210 (estimate) |
| Flash point | 156-158°C/12mm |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | soluble in Benzene,Methanol |
| Physical state | Crystalline Powder |
| Color | Off-white to beige |
| BRN | 1363868 |
| InChI | 1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H |
| InChIKey | AZKDTTQQTKDXLH-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc2ccccc2c1 |
| CAS DataBase Reference | 613-46-7(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | DQG8D8B4F6 |
| NIST Chemistry Reference | 2-Naphthalenecarbonitrile(613-46-7) |
| EPA Substance Registry System | 2-Naphthalenecarbonitrile (613-46-7) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS06 |
| Signal word | Danger |
| GHS hazard statements | H300-H315-H318-H335 |
| GHS precautionary statements | P280-P301+P310+P330-P302+P352-P305+P351+P338+P310 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard symbols | Xn,N,T |
| Risk statements (R) | 20/21/22-51/53-41-37/38-25 |
| Safety statements (S) | 36/37-61-45-36/37/39-26-39 |
| UN transport number | 3276 |
| Water hazard class (WGK) | 3 |
| RTECS number | QL5976350 |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 2 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29269090 |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH300 (88.6%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (88.6%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | QL5976350 |
| UN transport number | 3276 |
| Customs code | 29269090 |
| Risk statements (R) | 20/21/22-51/53-41-37/38-25 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS06 |
| Hazard symbols | Xn,N,T |
| Safety statements (S) | 36/37-61-45-36/37/39-26-39 |
| Hazard class | 6.1Acute Tox. 2 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H300-H315-H318-H335 |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P280-P301+P310+P330-P302+P352-P305+P351+P338+P310 |
Applications & Uses
Uses
2-Cyanonaphthalene [613-46-7], bnaphthonitrile, 2-naphthoic acid nitrile, Mr 153.17, mp 66℃, bp 303℃, forms colorless crystals that are readily soluble in ethanol. It is used in organic synthesis and suitable as a reaction medium for obtaining propylene from ethylene and 2-butene by olefin metathesis.