基本情報
- CAS
2425-74-3- 標準SMILES
CC(C)(C)NC=O- InChIKey
SDLAKRCBYGZJRW-UHFFFAOYSA-N- 分子式
- C5H11NO
- 平均分子量
- 101.15 g/mol
- 単同位体質量
- 101.08406397
名称と識別子
- 優先名称
- N-t-Butylformamide
- IUPAC
- N-tert-butylformamide
- 現地名
- N-tert-ブチルホルムアミド
- 英語名
- N-tert-Butylformamide
- 分子式
- C5H11NO
- 分子量
- 101.15
名称と別名
N-tert-Butylformamide2425-74-3Formamide, N-(1,1-dimethylethyl)-N-Formyl-tert-butylamineN-T-BUTYLFORMAMIDEN-(1,1-Dimethylethyl)formamideN-(1,1-Dimethyl)formamideHSDB 5877UNII-GZ0P5X0IRFNSC 7082AI3-22415 (USDA)EINECS 219-369-6
名称をさらに表示
N-tert-ブチルホルムアミドN-(tert-ブチル)ホルムアミドN-ホルミル-tert-ブチルアミンN-(1,1-ジメチルエチル)ホルムアミドai3-22415(usda)tert-Butylformamiden-tert-butyl-formamidn-(tert-butyl)-formamidN-tert-butylmethanamideFormamide, N-tert-butyl-N-tert-Butylformamide,97%
BRN 1738869AI3-22415NSC-7082DTXSID2062408N-T-BUTYLFORMAMIDE [HSDB]4-04-00-00661 (Beilstein Handbook Reference)tertButylformamideNtertButylformamide
データベース識別子
- CAS
2425-74-3- PubChem CID
- 17045
- DTXSID
DTXSID2062408- UNII
- GZ0P5X0IRF
- EC Number
- 219-369-6
- Nikkaji
- J26.739B
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 29.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 63
実験および物理化学的性質
Color/FormColorless liquid
SolubilitySol in water and common hydrocarbon solvents.
DecompositionWhen heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Vapor Pressure
0.27 [mmHg]
0.27 mm Hg @ 25 °C
Physical Descriptionmp = 16 deg C; [ChemIDplus] Colorless liquid; [HSDB] Colorless liquid; mp = 14-17 deg C; [Alfa Aesar MSDS]
Kovats Retention Index915
Other Experimental PropertiesHigh boiling liquid
物理化学的性質
- 融点
- 16 °C · 16 °C(lit.)
- 沸点
- 202 °C · 202 °C(lit.)
- 比重(密度)
- 0.903 g/mL · 0.903 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.433(lit.)
- 闪点
- 203 °F · 203 °F
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Toxic Combustion ProductsWhen heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Hazard Classes and CategoriesNot Classified
Hazardous Reactivities and IncompatibilitiesAn equimolar mixture with N-tert-butyl formamide underwent a sudden exotherm after placing in a bath at 60 °C and the tube contents were ejected vigorously as a small cloud.
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
Non-Human Toxicity ExcerptsA poison by intravenous route.
Non-Human Toxicity Values
化学と産業
用途と製造
Uses
Used as a solvent, petroleum additive, and intermediate for lubricating oil additives and other chemicals; [HSDB]
Petroleum Production and Refining [Category: Industry]
/Used/ as a solvent and in petroleum additives
Used as an intermediate in the manufacture of lubricating oil additives and miscellaneous chemicals.
Methods of ManufacturingIsobutylene first reacts with sulfuric acid and then hydrogen cyanide to yield tert-butylformamide.
General Manufacturing InformationFormamide, N-(1,1-dimethylethyl)-: INACTIVE
応用分野
使用N-tert-Butylformamide was used to investigate the ability of low molecular weight amides to function as non-aqueous amphiphile self-assembly media.
一般的な説明N-tert-Butylformamide forms nanostructure due to segregation of the molecules into polar and non-polar domains, analogous to amphiphile self-assembly.
調製方法
純化方法If the IR indicates some hydrolysis, then dissolve it in Et2O, wash it with 20% aqueous Na2CO3, dry it (MgSO4), filter and fractionate it. Collect the fraction that solidifies on cooling and recrystallise it from Et2O at low temperature if necessary. [Emmons J Am Chem Soc 79 5753 1957, Beilstein 4 III 324, 4 IV 661.]
上流・下流製品情報
上流原料
関連反応
3 件
化合物ノート
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