tert-Butyl isocyanide 异氰酸叔丁酯

CAS 7188-38-7 MFCD00000002

化学结构图

7188-38-7
SMILES: [C-]#[N+]C(C)(C)C

化学属性

Mol. FormulaC5H9N
Mol. Weight83.13
Density0.735
Refractive indexn20/D 1.376(lit.)
Boiling Point92°C
Flash Point-2°C(lit.)
TSCANo

别名和识别编码

Chemical Nametert-BUTYL ISOCYANIDE
CAS Number7188-38-7
EC Number230-553-5
Beilstein Registry Number4,174
MDL NumberMFCD00000002
Reaxys-RN1815927
PubChem Substance ID23577
Synonym (CH3)3CNC 1,1-Dimethylethyl isocyanide 1,1-dimethylethyl isocyanide 2-ISOCYANO-2-METHYL-PROPANE 2-Isocyano-2-methyl-propane 2-Isocyano-2-methylpropane 2-Methyl-2-isocyanopropane 2-Methylpropyl isocyanide 2-isocyano-2-methyl-propan 2-isocyano-2-methylpropane 2-methylpropyl isocyanide tert-Butyl isonitrile tert-Butylisocyanid tert-butyl isocyanide tert-butyl-isocyanide tert-butylisonitrile tert.-Butylisocyanid tert.-Butylisonitril Propane, 2-isocyano-2-methyl- Propane,2-isocyano-2-methyl- T-BUTYLISOCYANIDE TBIN TERT-BUTYL ISOCYANIDE TERT-BUTYL ISONITRILE t-Butyl isocyanide
Chemical Name Translation异氰酸叔丁酯
InChIKeyFAGLEPBREOXSAC-UHFFFAOYSA-N
Wiswesser Line NotationNCX1&1&1
LabNetwork Molecule IDLN00226392
InChIInChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3
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分类

  • Building Blocks, Chemical Synthesis, Isocyanides, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Isocyanides, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 用于香豆素，4H-吡喃和异恶唑啉的合成，也被用来捕捉2-亚环丙基-1,3 - 二酮。

相关文献及参考

  • Beilstein:4,174
  • Useful intermediate in multicomponent reactions. For example, forms a reactive 1 : 1 adduct with acetylenic esters, e.g. Dimethyl­ acetyl­enedicarboxyl­ate, A11437, which can be trapped with strong C-H acids, such as 4-Hydroxy-6-methyl-2-pyrone, L11457:
  • In the presence of a free-radical initiator, can be used in a tin-free procedure for alkyl radical reactions: Angew. Chem. Int. Ed., 43, 3598 (2004).
  • Short: II/19a

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R23 Toxic by inhalation 吸入有毒
  • R11 Highly flammable 非常易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P303+P361+P353
  • P304+P340
  • P304+P340+P311
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSEQ7102500
UN Number UN 1993 3/PG 2 1992 UN1992
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H330 Fatal if inhaled 吸入致命
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes F,T F;T
Packing GroupII
Hazard Class3/6.1
Storage condition -20°C -20℃ Flammables area 储存温度2-8℃ 
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 710 mg/m3/4H
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   33,241,1975

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 377 mg/m3/4H
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   33,241,1975

其他信息

  • Acros Organics:异氰酸叔丁酯 tert-Butyl isocyanide, 97%(7188-38-7)
  • 异氰酸叔丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1274 叔丁基异氰 tert-Butyl Isocyanide 5ML 1150元 2014/06/02 B1274 叔丁基异氰 tert-Butyl Isocyanide 25ML 3900元 2010/06/21 403600050 异氰酸叔丁酯 tert-Butyl isocyanide 97% 5 GR 1381元
  • MOL 文件:7188-38-7.mol
  • Sigma Aldrich:7188-38-7(sigmaaldrich)
  • 储运特性:库房通风低温干燥; 防明火, 与氧化剂分开存放
  • Alfa Aesar:叔丁基异氰酸酯,98% tert-Butyl isocyanide, 98%(7188-38-7)
  • 检测方法:GC
  • 存储注意事项:湿度敏感
  • 可燃性危险特性:遇热, 明火,强氧化剂易燃; 热分解排出有毒氮氧化物和氰化物烟雾
  • 类别:易燃液体
  • 毒性分级:中毒
  • 外观性质:无色透明液体。密度：0.73沸点：91℃折光率n20/D：1.374-1.378闪点：-2 ℃
  • 灭火剂:二氧化碳, 干粉, 泡沫
  • TCI Shanghai:异氰酸叔丁酯 tert-Butyl Isocyanide,>;95.0%(GC)(7188-38-7)
  • 上游原料:二氯甲烷 --> 三氯甲烷 --> 叔丁胺 --> 苄基三乙基氯化铵
  • 急性毒性:吸入-大鼠 LC50: 710 毫克/立方米/4小时; 吸入-小鼠 LC50: 377 毫克/立方米/4小时
  • 图谱信息:异氰酸叔丁酯(7188-38-7)红外图谱(IR1) 异氰酸叔丁酯(7188-38-7)质谱(MS) 异氰酸叔丁酯(7188-38-7)核磁图( 13 CNMR) 异氰酸叔丁酯(7188-38-7)核磁图( 1 HNMR)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanides - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanides - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanates
  1. Functional Group 官能团索引
  2. isonitrile

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