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ビス[4-(ジメチルアミノ)フェニル]メタン
ビス[4-(ジメチルアミノ)フェニル]メタン · ミクラー塩基 · ビス(4-ジメチルアミノフェニル)メタン · N,N,N',N'-テトラメチル[4,4'-メチレンビスアニリン] · 4,4'-メチレンビス[N,N-ジメチルアニリン] · 4,4'-メチレンビス(N,N-ジメチルアニリン) · ミクラーベース · Michlerベース
![ビス[4-(ジメチルアミノ)フェニル]メタン の分子構造式](/img/chemical/7567.png)
識別子と物理属性
| CAS No. | 101-61-1 |
|---|---|
| 分子式 | C17H22N2 |
| 平均分子量 | 254.37 g/mol |
| 単同位体質量 | 254.1782987 g/mol |
| SMILES | CN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1 |
| InChIKey | JNRLEMMIVRBKJE-UHFFFAOYSA-N |
| PubChem CID | 7567 |
| ChEMBL | CHEMBL1613260 |
| ChEBI | CHEBI:34370 |
| EC No. | 202-959-2 |
| DTXSID | DTXSID5020869 |
| 現地名 | ビス[4-(ジメチルアミノ)フェニル]メタン |
化学・物理的性質
| XLogP | 3.9 |
|---|---|
| 極性表面積 | 6.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 4 |
| 重原子数 | 19 |
| 形式電荷 | 0 |
| 複雑度 | 220 |
| 物質分類 | Carcinogens |
| Polymers | Nitrogen Compounds -> Amines, Polyaromatic |
| 農薬 | Pesticide -> EPA IRIS |
| 密度 | 1.14 at 68 °F (NTP, 1992) - Denser than waterwill sink1.0344 (rough estimate) |
| Color/Form | Lustrous leafletsYellowish leaflets or glistening platesPlatelets or tablets from alcohol, ligand |
| 溶解度 | less than 1 mg/mL at 72 °F (NTP, 1992)Insoluble in waterSoluble in benzene, ether, carbon disulfide, acidsslightly soluble in cold alcohol, more soluble in hot alcoholSlightly soluble in ethanolsoluble in acidvery soluble in ether, benzene, carbon disulfide不溶性 |
| 引火点 | 412 °F (NTP, 1992)211 °C178 °C |
| 沸点 | 734 °F at 760 mmHg (NTP, 1992)390 °C decomposesBP: 155-157 °C at 0.1 mm HgBP: 183 °C at 3 mm Hg |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| 融点 | 194 to 196 °F (NTP, 1992)91.5 °C88-89 °C(lit.) |
| 蒸気圧 | less than 0.000075 mmHg at 68 °F (NTP, 1992)0.0000175 [mmHg] |
| Physical Description | Yellowish glistening leaflets or plates or tan crystals. Weak odor. Sublimes without decomposition. (NTP, 1992)Yellowish solid[Hawley] Crystalline powder[MSDSonline] |
| 屈折率 | 1.5794 (estimate) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | 結晶性粉末、結晶および/またはチャンク |
| pKa（酸解離定数） | 5.57±0.12(Predicted) |
| 色 | オフホワイトまたはライトグレーまたはベージュブラウン |
| Merck | 14,6176 |
| BRN | 479956 |
| ヘンリー定数 | 8.2×101 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | 安定。可燃性。強力な酸化剤、酸、酸塩化物、酸無水物、反応性金属、酸化物、塩素酸塩、ハロゲン化化合物、塩化第二鉄、ニトロ化合物、過酸化物、強力なアンモニア溶液、硫化物、ビニルポリマーとは混和しません。 |
| 主な用途 | 診断アッセイの製造血液学組織学 |
| InChI | 1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3 |
| InChIKey | JNRLEMMIVRBKJE-UHFFFAOYSA-N |
| SMILES | CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1 |
| CAS データベース | 101-61-1(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzenamine, 4,4'-methylenebis[N,N-dimethyl-(101-61-1) |
| EPAの化学物質情報 | 4,4'-Methylenebis[N,N-dimethylaniline] (101-61-1) |
化学的特性
yellow to tan crystals
安全性と法規制
| GHS 分類 | DangerH350 (100%): May cause cancer [Danger Carcinogenicity]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H350: May cause cancer [Danger Carcinogenicity] |
|---|---|
| 規制情報 | Chemical: Benzenamine, 4,4'-methylenebis[N,N-dimethyl-Hazard Traits - CarcinogenicitySubstance: N,N,N',N'-tetramethyl-4,4'-methylenedianiline (Michlerâs base)4,4'-Methylenebis(N,N-dimethylbenzenamine): Does not have an individual approval but may be used under an appropriate group standardThe 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.) |
| その他の安全情報 | IMAP assessments - Benzenamine, 4,4'-methylenebis[N,N-dimethyl-: Environment tier I assessment |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | This chemical is combustible. (NTP, 1992) |
| 火災の可能性 | Flammable liquid |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and respiratory tractrespiratory distress, kidney damage and liver damage, reproductive effects and birth defects. |
| 有害性の概要 | A skin, eye, and respiratory tract irritantHarmful by inhalation, ingestion, and skin absorptionCan cause injury to the liver, kidneys, lungs, and reproductive system[CAMEO] An irritantMay induce methemoglobinemia[MSDSonline] |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Special Reports | U.S. Department of Health & Human Services/National Toxicology ProgramTwelfth Report on Carcinogens (2011). 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. 4,4'-Methylenebis(N,N-dimethyl)-benzenamine (101-61-1) is listed as reasonably anticipated to be a human carcinogen. First listed in the Third Annual Report on Carcinogens (1983).[Available from, as of March 1, 2012: http://ntp.niehs.nih.gov/?objectid=03C9AF75-E1BF-FF40-DBA9EC0928DF8B15] |
用途
用途
染料や他の物質製造
用途
有機合成用原料。
用途
染料、合成中間体
使用
4,4'-Methylenebis(N,N-dimethylaniline)is used as a chemical intermediate in the manufacture of dyes and for its hydrochloric salt and is also used as an analytical reagent in the determination of lead.
一般的な説明
Yellowish glistening leaflets or plates or tan crystals. Weak odor. Sublimes without decomposition.
製法・合成法
純化方法
Crystallise the base from EtOH (2mL/g) or 95% EtOH (ca 12mL/g). It sublimes on heating. [Beilstein 13 IV 390.]