Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
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-
식별자 및 물리적 특성
| CAS No. | 2243-54-1 |
|---|---|
| 분자식 | C11H7NO |
| 평균 분자량 | 169.18 g/mol |
| 단동위원소 질량 | 169.05276385 g/mol |
| SMILES | O=C=Nc1ccc2ccccc2c1 |
| InChIKey | XIXJQNFTNSQTBT-UHFFFAOYSA-N |
| PubChem CID | 16718 |
| EC No. | 218-815-7 |
| DTXSID | DTXSID00176956 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 29.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 220 |
| 녹는점 | 53-56 °C (lit.) |
| 끓는 점 | 83 °C/0.2 mmHg (lit.) |
| 밀도 | 1.1616 (rough estimate) |
| 굴절률 | 1.4900 (estimate) |
| 물리적 상태 | 울퉁불퉁한 고체 |
| 색상 | 하얀색 |
| 용해도 | 물에서 가수분해됩니다. |
| 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 |
화학적 성질
white chunks
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | QJ7950000 |
| 운송 번호(UN) | UN 3335 |
| 관세 코드 | 29291090 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-27-36/37/39-45 |
| 위험 등급 | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
일반 설명
2-Naphthyl isocyanate is an aromatic isocyanate. It is formed during the rat liver microsome catalyzed oxidative metabolism of 2-naphthyl isothiocyanate.