Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
N-니트로소디에틸아민
니트로소디에틸아민 · N-나이트로소다이에틸아민 · N-니트로소디에틸아민 · 다이에틸나이트로소아민 · NDEA · DEN · DANA · Nitrosodiethylamine

식별자 및 물리적 특성
| CAS No. | 55-18-5 |
|---|---|
| 분자식 | C4H10N2O |
| 평균 분자량 | 102.14 g/mol |
| 단동위원소 질량 | 102.07931295 g/mol |
| SMILES | CCN(CC)N=O |
| InChIKey | WBNQDOYYEUMPFS-UHFFFAOYSA-N |
| PubChem CID | 5921 |
| ChEMBL | CHEMBL164290 |
| ChEBI | CHEBI:34873 |
| EC No. | 200-226-1 |
| DTXSID | DTXSID2021028 |
| 현지명 | N-니트로소디에틸아민 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 32.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 51.7 |
| 물질 분류 | Nitrogen Compounds -> NitrosaminesCarcinogensVolatile Organic Compound (VOC) |
| SpringerMaterials Properties | Boiling point |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow = 0.480.61 |
| 밀도 | 0.9422 at 68 °F (NTP, 1992) - Less dense than waterwill float0.9422 g/ cu cm at 20 °C0.95 g/mL (lit.) |
| Color/Form | Yellow oilSlightly yellow liquid |
| 용해도 | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)In water, 106,000 mg/L at 24 °CSoluble in waterSoluble in ethanol, ethyl etherslightly soluble in chloroformSoluble in alcohol, etherSoluble in organic solvents and lipids클로로포름(가용성), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨) |
| 인화점 | 145 °F (NTP, 1992) |
| 끓는 점 | 351 °F at 760 mmHg (NTP, 1992)172 °CBP: 175-177 °C177 °C (lit.) |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx).When heated to decomposition it emits toxic fumes of /oxides of nitrogen/. |
| 증기압 | 5.7 mmHg at 77 °F8.8 mmHg at 94.1 °F (NTP, 1992)0.86 [mmHg]VP: 0.16, 0.40, 1.6 and 2.7 mm Hg at 0, 10, 30 and 40 °C, respectively0.86 mm Hg at 20 °C1.7 mmHg at 20 °C |
| 굴절률 | Index of refraction: 1.4386 at 20 °C/Dn20/D 1.437 |
| 녹는점 | <25℃ |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | -3.14±0.70(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 노란색 |
| 용해도 | 106.2g/L(24℃) |
| Merck | 6636 |
| BRN | 1744991 |
| 헨리 상수 | 1.2×10-2 mol/(m3Pa) at 25℃, Thompson et al. (2018) |
| 안정성 | 안정적이지만 빛에 민감합니다. 타기 쉬운. 강한 산화제, 환원제와 호환되지 않습니다. |
| InChI | 1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3 |
| InChIKey | WBNQDOYYEUMPFS-UHFFFAOYSA-N |
| SMILES | CCN(CC)N=O |
| EPA | N-Nitrosodiethylamine (55-18-5) |
화학적 성질
N-Nitrosodiethylamine is a yellow liquid.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.9% (1 of 54) of reports.DangerH301 (98.1%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| 규제 정보 | Hazard Traits - CarcinogenicityRegulation (EC) No 257/2010The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | This chemical is combustible. (NTP, 1992) |
| 화재 가능성 | This chemical is a combustible liquid. |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992) |
| 유해성 요약 | Danger of cutaneous absorption[MAK] May cause irritationEffects in high-dose animal studies include fatty liver degeneration[MSDSonline] |
| 반응성 그룹 | Azo, Diazo, Azido, Hydrazine, and Azide Compounds |
| Special Reports | DHHS/National Toxicology ProgramReport on Carcinogens, Fourteenth Edition: Acrylonitrile (November 2016). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. N-Nitrosodiethylamine (55-18-5) is listed as reasonably anticipated to be a human carcinogen.[Available from, as of December 5, 2018: http://ntp.niehs.nih.gov/pubhealth/roc/index-1.html]USEPAAmbient Water Quality Criteria Doc: Nitrosamines (1980) EPA-440/5-80-064WHOEnviron Health Criteria 5: Nitrates, Nitrites, and N-Nitroso Compounds (1978) |
용도
용도
N-Nitrosodiethylamine (DEN) is a widely occurring nitrosamine that is one of the most important environmental carcinogens primarily inducing tumors of liver.
일반 설명
Clear slightly yellow liquid. Boiling point 175-177°C. Can reasonably be anticipated to be a carcinogen. Used as a gasoline and lubricant additive and as an antioxidant and stabilizer in plastics.