Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-Naphthaleneacetamide
Naphthaleneacetamide · NAAM · Frufix · Rootone · dirigoln · Rosetone · NAI-DPAC · NAA Amide
식별자 및 물리적 특성
| CAS No. | 86-86-2 |
|---|---|
| 분자식 | C12H11NO |
| 평균 분자량 | 185.22 g/mol |
| 단동위원소 질량 | 185.08406397 g/mol |
| SMILES | NC(=O)Cc1cccc2ccccc12 |
| InChIKey | XFNJVKMNNVCYEK-UHFFFAOYSA-N |
| PubChem CID | 6861 |
| ChEMBL | CHEMBL3186653 |
| ChEBI | CHEBI:81810 |
| EC No. | 201-704-2 |
| DTXSID | DTXSID3020914 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 43.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 214 |
| 용해도 | 0.039 mg/mL at 40 °CDMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 녹는점 | 184 °C180-183 °C (lit.) |
| Physical Description | Solid |
| 끓는 점 | 319.45°C (rough estimate) |
| 밀도 | 1.0936 (rough estimate) |
| 굴절률 | 1.5300 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| pKa(산도 계수) | 16.10±0.40(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| BRN | 1945547 |
| 헨리 상수 | 9.8×107 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| 주요 응용 | 농업환경 |
| InChI | 1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14) |
| InChIKey | XFNJVKMNNVCYEK-UHFFFAOYSA-N |
| SMILES | NC(=O)Cc1cccc2ccccc12 |
| NIST | 1-Naphthaleneacetamide(86-86-2) |
| EPA | 1-Naphthaleneacetamide (86-86-2) |
화학적 성질
white to cream powder
안전 및 규제
| GHS 분류 | DangerH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]H318 (27.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H361d (64.8%): Suspected of damaging the unborn child [Warning Reproductive toxicity]H412 (67.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 162 reports by companies from 10 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. |
|---|---|
| 규제 정보 | Commission Regulation (EC) No 33/20082008/941/EC, Reg. (EU) 2023/2592, Reg. (EU) No 2019/291, Reg. (EU) No 540/2011, Reg. (EU) No 786/20111-Naphthalenacetamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%)Eye Dam. 1 (27.8%)Repr. 2 (64.8%)Aquatic Chronic 3 (67.3%) |
| Protective Action Criteria (PAC) | 5.1 [mg/m3]56 [mg/m3]330 [mg/m3] |
| RAIS Toxicity Values | 0.25OPP |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QJ0590000 |
| 관세 코드 | 29242990 |
| 위험 문구(R) | 22-41-34-11 |
용도
용도
1-Naphthylacetamide (cas# 86-86-2) is a compound useful in organic synthesis.