HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Naphthyl isocyanate
2-Naphtyl isocyanate · β-Naphthyl isocyanate · 2-Naphthyl isocyanate · 2-isocyanato-naphthalen · beta-naphthylisocyanate · 2-isocyanato-Naphthalene · 2-Naphthalenyl isocyanate · Naphthalene, 2-isocyanato-
Identifiers & Physical Properties
| CAS No. | 2243-54-1 |
|---|---|
| Molecular formula | C11H7NO |
| Average molar mass | 169.18 g/mol |
| Monoisotopic mass | 169.05276385 g/mol |
| SMILES | O=C=Nc1ccc2ccccc2c1 |
| InChIKey | XIXJQNFTNSQTBT-UHFFFAOYSA-N |
| PubChem CID | 16718 |
| EC No. | 218-815-7 |
| DTXSID | DTXSID00176956 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 29.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 220 |
| Melting point | 53-56 °C (lit.) |
| Boiling point | 83 °C/0.2 mmHg (lit.) |
| Density | 1.1616 (rough estimate) |
| Refractive index | 1.4900 (estimate) |
| Physical state | Chunks |
| Color | White |
| Solubility | It hydrolyzes in water. |
| Sensitivity | Moisture Sensitive |
| InChI | 1S/C11H7NO/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H |
| InChIKey | XIXJQNFTNSQTBT-UHFFFAOYSA-N |
| SMILES | O=C=Nc1ccc2ccccc2c1 |
| FDA UNII | 9ZE6124VOI |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H302+H312+H332-H315-H317-H319-H334-H335 |
| GHS precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-27-36/37/39-45 |
| UN transport number | UN 3335 |
| Water hazard class (WGK) | 3 |
| RTECS number | QJ7950000 |
| Hazard class | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Customs code | 29291090 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | DangerH302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]H334 (13.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (90.9%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)Resp. Sens. 1 (13.6%)STOT SE 3 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| RTECS number | QJ7950000 |
| UN transport number | UN 3335 |
| Customs code | 29291090 |
| Risk statements (R) | 20/21/22-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS08 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-27-36/37/39-45 |
| Hazard class | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302+H312+H332-H315-H317-H319-H334-H335 |
| GHS precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338 |
Applications & Uses
Uses
2-Naphthyl Isocyanate is a genotoxicant.
General Description
2-Naphthyl isocyanate is an aromatic isocyanate. It is formed during the rat liver microsome catalyzed oxidative metabolism of 2-naphthyl isothiocyanate.