4-Iodoanisole 4-碘苯甲醚

CAS 696-62-8 MFCD00001056

化学结构图

696-62-8
SMILES: COc1ccc(I)cc1

化学属性

Mol. FormulaC7H7IO
Mol. Weight234.03
Density1.727
Boiling Point239°C at 760 mmHg
Melting Point50-53°C
Flash Point95.1°C
TSCAYes
Stability对光敏感
Appearance 白色针状结晶。熔点51-52℃，沸点237℃（96.8kPa）。溶于醇、醚等有机溶剂，不溶于水。见光易分解析出碘。

别名和识别编码

Chemical Name4-Iodoanisole
Synonym 4-Iodoanisole {LY} 4-Iodoanisole {} {LY} 4-Iodoanisole {} {} {LY} 4-Iodoanisole {} {} {} {LY} 4-Iodoanisole {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Iodoanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number696-62-8
EC Number211-789-7
Beilstein Registry Number1906692
MDL NumberMFCD00001056
PubChem Substance ID87571731
Reaxys-RN1906692
Chemical Name Translation4-碘苯甲醚
InChIKeySYSZENVIJHPFNL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00008914
Canonical SMILESCOC1=CC=C(I)C=C1
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分类

  • {SNA} Building Blocks, C2 to C7, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment

产品应用

  • 用于有机合成。

相关文献及参考

  • For use in the 'ligandless' Suzuki cross-coupling with arylboronic acids, see: Org. Synth., 75, 61 (1997).
  • Short: II/27B
  • Short: III/20c
  • Beilstein:6(2)198

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • 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
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Storage condition -20°C, protect from light {LY} -20°C, protect from light Light Sensitive {} {LY} -20°C, protect from light {} {} {LY} -20°C, protect from light {} {} {} {LY} -20°C, protect from light {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect fro
Hazard Codes Xi Xi,Xn

其他信息

  • 图谱信息:4-碘苯甲醚(696-62-8)红外图谱(IR1) 4-碘苯甲醚(696-62-8)核磁图( 13 CNMR) 4-碘苯甲醚(696-62-8)红外图谱(IR2) 4-碘苯甲醚(696-62-8)核磁图( 1
  • 用途一:用于有机合成
  • MOL 文件:696-62-8.mol
  • Alfa Aesar:4-碘苯甲醚,98+% 4-Iodoanisole, 98+%(696-62-8)
  • 3-氟-4-碘苯甲醚的合成:以间氨基苯甲醚为原料,在浓HCl、NaNO2作用下,反应温度5℃以下,加入40%的氟硼酸,加热,经Schiemann反应生成间氟苯甲醚,产率36.6%。然后在60℃水浴中缓慢滴加65%~68%的发烟硝酸、冰乙酸和醋酐的混合液(间氟苯甲醚与浓硝酸的摩尔比为0.0624∶0.0721、冰乙酸与醋酐的体积比为10.6∶7.6),苯环上4-位硝化1 h后得3-氟-4-硝基苯甲醚,产率48
  • 4-碘苯甲醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0378 4-碘苯甲醚 4-Iodoanisole 500G 2980元 2014/06/02 I0378 4-碘苯甲醚 4-Iodoanisole 25G 352元 2010/06/21 122321000 4-碘苯甲醚 4-Iodoanisole 98% 100 GR 765元
  • TCI Shanghai:4-碘苯甲醚 4-Iodoanisole,>;96.0%(GC)(696-62-8)
  • F:8
  • Sigma Aldrich:696-62-8(sigmaaldrich)
  • Acros Organics:4-碘代茴香醚/对碘代苯甲醚 4-Iodoanisole, 98%(696-62-8)
  • 用途二:液晶单体合成原料
  • 溶于醇、醚等有机溶剂，不溶于水。见光易分解析出碘。
  • 方法一:由苯甲醚与氯化碘反应而得。将苯甲醚加入冰醋酸中，搅拌并缓缓加入氯碘。加毕升温回流3.5h。冷却，倒入冰水中，析出对碘苯甲醚。将其分出后用5%亚硫酸钠洗去游离碘，然后水洗，减压蒸馏，收集沸点140-160℃（5.33kPa）馏分，冷至0℃过滤。用甲醇洗涤、重结晶，即得成品。
  • 上游原料:亚硫酸钠 --> 二甲醚 --> 一氯化碘
  • MSDS 信息:4-Iodoanisole(696-62-8).msds
  • 海关编码:29093090
  • 2,3-二氟-4-碘苯甲醚的合成:以2,3-二氨基苯甲醚为原料,在浓HCl和NaNO2作用下,反应温度在5 ℃以下,加入w(HBF4)=40%的氟硼酸,加热,经Schiemann反应生成2,3-二氟苯甲醚,产率40.7%.然后在50～60 ℃水浴中缓慢滴加w(HNO3)=65%～68%的发烟硝酸、冰醋酸和醋酐的混合液,苯环上4-位硝化后得2,3-二氟-4-硝基苯甲醚,产率51.9%,熔点124 ℃.在SnCl2和浓HCl作用下反应12 h,再还原成2,3-二氟-4-氨基苯甲醚,产率84.6%,熔点81～82 ℃.加入NaNO2、浓H2SO4和KI,在5 ℃重氮化,经Sandmeyer反应碘
  • 图谱信息:4-碘苯甲醚(696-62-8)红外图谱(IR1) 4-碘苯甲醚(696-62-8)核磁图( 13 CNMR) 4-碘苯甲醚(696-62-8)红外图谱(IR2) 4-碘苯甲醚(696-62-8)核磁图( 1 HNMR) 4-碘苯甲醚(696-62-8)Raman光谱 4-碘苯甲醚(696-62-8)质谱(MS)
  • 3-氟-4-碘苯甲醚的合成:以间氨基苯甲醚为原料,在浓HCl、NaNO2作用下,反应温度5℃以下,加入40%的氟硼酸,加热,经Schiemann反应生成间氟苯甲醚,产率36.6%。然后在60℃水浴中缓慢滴加65%~68%的发烟硝酸、冰乙酸和醋酐的混合液(间氟苯甲醚与浓硝酸的摩尔比为0.0624∶0.0721、冰乙酸与醋酐的体积比为10.6∶7.6),苯环上4-位硝化1 h后得3-氟-4-硝基苯甲醚,产率48.7%,沸点151.2℃。在ZnCl2和浓HCl作用下反应12 h,再还

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. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  6. C2 to C8 - Ethers
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Epoxides