计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
有货
为什么选择此级别
HPLC梯度级,色谱HPLC级 提供 ≥99.9% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
室温,充氩。DG运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 3344 篇同行评审文献引用。
概述
无色透明液体。有轻微醚气味。有毒。燃烧时发光火焰。能与水、乙醚、甲醇、丙酮、氯仿、四氯化碳、氯化乙烯、乙酸甲酯、乙酸乙酯、乙酰胺溶液和许多不饱和烃混溶，不能与饱和烃混溶。能溶解一些无机盐类，如硝酸银、硝酸锂和溴化镁等。能与水形成共沸混合物(含水16%)，乙腈最主要的用途是作溶剂。在石油工业中用于从石油烃中除去焦油、酚等物质的溶剂。在油脂工业中用作从动植物油中抽提脂肪酸的溶剂，在医药上用于甾族类药物的再结晶的反应介质。乙腈是医药（维生素B1），香料的中间体，是制造均三嗪氮肥增效剂的原料。也用作酒精的变性剂。此外，还可以用于合成乙胺、乙酸等，并在织物染色、照明工业中也有许多用途。
Colorless and transparent liquid.Has a slight ether odor.poisonous 。A flame that emits light when burning.It is miscible with water, ether, methanol, acetone, chloroform, carbon tetrachloride, vinyl chloride, methyl acetate, ethyl acetate, acetamide solution, and many unsaturated hydrocarbons, but not with saturated hydrocarbons.It can dissolve certain inorganic salts, such as silver nitrate, lithium nitrate, and magnesium bromide.It can form an azeotropic mixture with water (containing 16% water), and the primary use of acetonitrile is as a solvent.A solvent used in the petroleum industry to remove tar, phenols, and other substances from petroleum hydrocarbons.In the oil and fat industry, it serves as a solvent for extracting fatty acids from animal and plant oils; in the pharmaceutical field, it is used as a reaction medium for the recrystallization of steroidal drugs.Acetonitrile serves as an intermediate in pharmaceuticals (vitamin B1) and flavorings, and is a raw material for producing triazine nitrogen fertilizer synergists.It is also used as a denaturant for alcohol.Additionally, it can be used to synthesize ethylamine and acetic acid, among other compounds, and has numerous applications in textile dyeing and the lighting industry.
规格
别名
色谱乙腈 | 乙腈 | 氰甲烷 | 甲基氰
英文别名
Acetonitril (GERMAN, DUTCH) | ACETONITRILE | ace-tonitrile | aceto-nitrile | acetonitrile- | DTXCID909 | acetonitnle | Acetonitrile 1000 microg/mL in Methanol | Acetonitrile, puriss., 95% | Acetonitrile, Environmental Grade | Acetonitrile, for DNA synthes
规格或纯度
HPLC梯度级, 色谱HPLC级, ≥99.9%
英文名称
Acetonitrile(ACN)
储存条件
室温,充氩
运输条件
DG运输
纯度
≥99.9%
名称和识别符
EC号
200-835-2
分子类型
小分子
IUPAC Name
acetonitrile
INCHI
1S/C2H3N/c1-2-3/h1H3
InChi Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Smiles
CC#N
Isomeric SMILES
CC#N
UN Number
Packing Group
II
分子量
41.05
Beilstein号
741857
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机氮化合物 |
| 类（Class) | 有机氮化合物 |
| 亚类（Subclass） | 有机氰化物 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 腈类 |
| 其他上位类（Alternative Parents） | 有机光子化合物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 脂肪族无环化合物 |
| 取代基（Substituents） | 脂肪族非环化合物 - 碳腈 - 烃衍生物 - 氰基化合物 - 有机氮化合物 |
| 描述（Description） | 该化合物属于有机化合物类别中的氰基化合物。这类化合物具有RC#N结构，即氰化氢（HC#N）的C位取代衍生物。 |
| 外部描述符（External Descriptors） | aliphatic nitrile |
三维结构
交互式化学结构模型
关联靶点（其它种属）
Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 活性数据)
Nr1i2
Nuclear receptor subfamily 1 group I member 2 (14 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
密度
0.786
敏感性
易吸潮
折光率
1.343-1.345
闪点(℃)
2 °C
沸点
81-82°C
熔点
-46°C
分子量
41.050 g/mol
XLogP3
0.000
氢键供体数Hydrogen Bond Donor Count
0
氢键受体数Hydrogen Bond Acceptor Count
1
可旋转键计数Rotatable Bond Count
0
精确质量Exact Mass
41.0265 Da
单同位素质量Monoisotopic Mass
41.0265 Da
拓扑极表面积Topological Polar Surface Area
23.800 Ų
重原子数Heavy Atom Count
3
形式电荷Formal Charge
0
复杂度Complexity
29.300
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
1
安全和危险性（GHS）
一般危化品
一般危化品
信号词
危险
危险声明
H225: 高度易燃的液体和蒸气
H319: 引起严重眼睛刺激
H302+H312+H332: 吞咽，皮肤接触或吸入有害。
预防措施声明
P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。
P233: 保持容器密闭。
P240: 地面/粘结容器和接收设备
P241: 使用防爆的[电气/通风/照明/.../]设备。
P242: 仅使用无火花的工具。
P243: 采取防静电措施
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾
P264: 处理后要彻底洗手。
P270: 使用本产品时，请勿进食、饮水或吸烟。
P271: 仅在室外或通风良好的地方使用。
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P321: 特殊处理（请参阅此标签上的...）。
P330: 漱口
P302+P352: 如皮肤沾染：用水充分清洗。
P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。
P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。
P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。
P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。
P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。
P403+P235: 存放在通风良好的地方。保持低温。
P501: 将内容物/容器处理到。。。
P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。
P301+P317: 如果被吞咽：请寻求医疗帮助。
P317: 寻求紧急医疗救助。
P337+P317: 如果眼睛刺激持续：寻求医疗帮助。
WGK Germany
2
Class
3
Merck Index
70
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目录： 技术文章
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目录： 技术文章
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目录： 技术文章
Photoinduced Alkane C(sp³)–H Functionalization in the Absence of an Added Photocatalyst: Trace-Iron Effects
目录： 技术文章
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目录： 技术文章
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