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N-ニトロソジエチルアミン
N-ニトロソジエチルアミン · Nニトロソジエチルアミン · [[[N-ニトロソジエチルアミン · N-ニトロソジエチルアミン、 · ジエチルニトロサミン · N‐ニトロソジエチルアミン · N-ニトロソジエチルアミン 溶液 · N-ニトロソジエチルアミン, 100 µg/mL in Dichloromethane

識別子と物理属性
| CAS No. | 55-18-5 |
|---|---|
| 分子式 | C4H10N2O |
| 平均分子量 | 102.14 g/mol |
| 単同位体質量 | 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 |
| 現地名 | N-ニトロソジエチルアミン |
化学・物理的性質
| XLogP | 0.5 |
|---|---|
| 極性表面積 | 32.7 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 51.7 |
| 物質分類 | Nitrogen Compounds -> NitrosaminesCarcinogensVolatile Organic Compound (VOC) |
| SpringerMaterials Properties | Boiling point |
| 農薬 | Pesticide -> EPA IRIS |
| LogP(分配係数) | log Kow = 0.480.61 |
| 密度 | 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 |
| 溶解度 | 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 lipidsChloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)106.2g/L(24℃) |
| 引火点 | 145 °F (NTP, 1992) |
| 沸点 | 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/. |
| 蒸気圧 | 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 |
| 屈折率 | Index of refraction: 1.4386 at 20 °C/Dn20/D 1.437 |
| 融点 | <25℃ |
| 貯蔵条件 | 2-8°C |
| pKa(酸解離定数) | -3.14±0.70(Predicted) |
| 外観・状態 | 液体 |
| 色 | 黄色 |
| Merck | 6636 |
| BRN | 1744991 |
| ヘンリー定数 | 1.2×10-2 mol/(m3Pa) at 25℃, Thompson et al. (2018) |
| 安定性 | 安定していますが、光に敏感です。可燃性。強力な酸化剤、還元剤とは相容れない。 |
| InChI | 1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3 |
| InChIKey | WBNQDOYYEUMPFS-UHFFFAOYSA-N |
| SMILES | CCN(CC)N=O |
| CAS データベース | 55-18-5(CAS DataBase Reference) |
| EPAの化学物質情報 | N-Nitrosodiethylamine (55-18-5) |
化学的特性
N-Nitrosodiethylamine is a yellow liquid.
安全性と法規制
| GHS 分類 | 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 |
|---|---|
| 規制情報 | 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.) |
| 輸送ラベル(DOT) | Poison |
| 火災危険 | This chemical is combustible. (NTP, 1992) |
| 火災の可能性 | This chemical is a combustible liquid. |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992) |
| 有害性の概要 | Danger of cutaneous absorption[MAK] May cause irritationEffects in high-dose animal studies include fatty liver degeneration[MSDSonline] |
| 反応性グループ | 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) |
用途
使用
N-Nitrosodiethylamine (DEN) is a widely occurring nitrosamine that is one of the most important environmental carcinogens primarily inducing tumors of liver.
一般的な説明
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.