基本情報
- CAS
2216-15-1- 標準SMILES
CCN(CC)c1ccc([N+](=O)[O-])cc1- InChIKey
CFPIZMWTMRWZRO-UHFFFAOYSA-N- 分子式
- C10H14N2O2
- 平均分子量
- 194.23 g/mol
- 単同位体質量
- 194.10552769
概要
N,n-diethyl-4-nitrobenzenamine appears as yellow needles (from ligroin) or yellow crystalline mass. (NTP, 1992)
名称と識別子
- 優先名称
- N,N-Diethyl-4-nitrobenzenamine
- IUPAC
- N,N-diethyl-4-nitroaniline
- 現地名
- 4-ニトロ-N,N-ジエチルベンゼンアミン
- 英語名
- N,N-DIETHYL-4-NITROANILINE
- 分子式
- C10H14N2O2
- 分子量
- 194.23
名称と別名
N,N-Diethyl-4-nitroanilinep-Nitro-N,N-diethylanilineBenzenamine, N,N-diethyl-4-nitro-N,N-Diethyl-4-nitrobenzenamineEINECS 218-685-1UNII-I9FVR3896II9FVR3896IDiethyl-(4-nitrophenyl)amineDTXSID7025057DIETHYL-4-NITROBENZENAMINE, N,N-RefChem:161166DTXCID805057
名称をさらに表示
4-ニトロ-N,N-ジエチルアニリン4-ニトロ-N,N-ジエチルベンゼンアミンp-ニトロ-N,N-ジエチルアニリン1-(ジエチルアミノ)-4-ニトロベンゼンN,N-ジエチル-4-ニトロアニリンN,N-ジエチル-p-ニトロアニリンN,N-ジエチル-4-ニトロベンゼンアミンTIMTEC-BB SBB007638NITRO(-P)-N,N-DIETHYLANILINE1-diethylamino-4-nitrobenzenen,n-diethyl-4-nitro-benzenamin4-Nitro-N,N-diethylbenzenamine
CFPIZMWTMRWZRO-UHFFFAOYSA-N2216-15-1N,N-Diethyl-p-nitroanilineMFCD00043606diethyl(4-nitrophenyl)amine4-nitro-n,n-diethylanilineAniline, N,N-diethyl-p-nitro- (6CI,7CI,8CI); N,N-Diethyl-4-nitrobenzenamine; 4-(Diethylamino)nitrobenzene; 4-Nitro-N,N-diethylaniline; p-Nitro-N,N-diethylanilineSCHEMBL160430
物性
構造計算による物性
- XLogP
- 3
- 極性表面積
- 49.1 Ų
- 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
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 179
実験および物理化学的性質
SpringerMaterials PropertiesChemical shift
Density1.225 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point171 to 172 °F (NTP, 1992)
Physical DescriptionN,n-diethyl-4-nitrobenzenamine appears as yellow needles (from ligroin) or yellow crystalline mass. (NTP, 1992)
物理化学的性質
- 融点
- 76 °C · 76 °C
- 沸点
- 350.68 °C · 350.68°C (rough estimate)
- 比重(密度)
- 1.225 · 1.2250
- 屈折率
- 1.6358 · 1.6358 (estimate)
- 貯蔵温度
- Refrigerator, under inert atmosphere
- 溶解性
- アセトニトリル（微量）、クロロホルム（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 2.3 · 2.30±0.32(Predicted)
- 色
- 淡い黄色から黄色
- CAS データベース
- 2216 · 2216-15-1(CAS DataBase Reference)
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 Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: A structurally similar chemical causes methemoglobinemia. (NTP, 1992)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile
A nitrated aromatic amine. Amines are combustible. The combustion of amines yields noxious NOx. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
化学と産業
用途と製造
General Manufacturing InformationBenzenamine, N,N-diethyl-4-nitro-: INACTIVE
応用分野
一般的な説明Yellow needles (from ligroin) or yellow crystalline mass.
上流・下流製品情報
上流原料
下流製品
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