4-Methoxyphenyl isocyanate 对甲氧基苯异氰酸酯

CAS 5416-93-3 MFCD00002026

化学结构图

5416-93-3
SMILES: COc1ccc(N=C=O)cc1

化学属性

Mol. FormulaC8H7NO2
Mol. Weight149.15 g/mol
Boiling Point119-120
Density1.15
Refractive index1.5450 to 1.5490
Flash Point98°C(lit.)
TSCAYes

别名和识别编码

Chemical Name4-Methoxyphenyl isocyanate
CAS Number5416-93-3
Alfabeta NameISOCYANATOMETHOXYBENZENE 14---
MDL NumberMFCD00002026
Synonym 4-Methoxyphenyl Isocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} Isocyanic acid 4-methoxyphenyl ester
EC Number226-513-1
Beilstein Registry Number471920
PubChem Substance ID79443
Reaxys-RN471920
Chemical Name Translation对甲氧基苯异氰酸酯
InChIKeyFMDGXCSMDZMDHZ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00142079
InChIInChI=1S/C8H7NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; isocyanate; ether; 1fragment

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/6 Title: Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch. Editor:

安全信息

Warnings IRRITANT
Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
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。
  • P303+P361+P353
  • P301+P312
  • P304+P340+P310
  • P305+P351+P338
  • 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。
Hazard statements
  • H301+H331
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupIII
UN Number 2206
Storage condition Moisture Sensitive 0-10 0-10°C
Hazard Codes 6.1
Hazard Class6.1

其他信息

  • MOL 文件:5416-93-3.mol
  • MSDS 信息:4-Methoxyphenyl isocyanate(5416-93-3).msds
  • 上游原料:三乙胺 --> 苯 --> 对甲氧基苯胺 --> 二(三氯甲基)碳酸酯
  • Acros Organics:异氰酸对甲氧基苯酯 4-Methoxyphenyl isocyanate, 99%(5416-93-3)
  • Alfa Aesar:4-甲氧基苯异氰酸酯,98% 4-Methoxyphenyl isocyanate, 98%(5416-93-3)
  • Sigma Aldrich:5416-93-3(sigmaaldrich)
  • F:10-21
  • 对甲氧基苯异氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0440 异氰酸4-甲氧基苯酯 4-Methoxyphenyl Isocyanate 5G 318元 2014/06/02 I0440 异氰酸4-甲氧基苯酯 4-Methoxyphenyl Isocyanate 25G 986元 2010/06/21 218760050 对甲氧基苯异氰酸酯 4-Methoxyphenyl isocyanate 99% 5 GR 424元
  • TCI Shanghai:4-甲氧基苯异氰酸酯 4-Methoxyphenyl Isocyanate,>;98.0%(GC)(5416-93-3)
  • 敏感性:Moisture Sensitive

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. Isocyanates - 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. Imines/Amidines
  1. Functional Group 官能团索引
  2. isocyanate