4-Methoxybenzonitrile 4-甲氧基苯甲腈

CAS 874-90-8 MFCD00001818

化学结构图

874-90-8
SMILES: COc1ccc(C#N)cc1

化学属性

Mol. FormulaC8H7NO
Mol. Weight133.15
Melting Point57-59°C
TSCAYes
Boiling Point256-257°C at 760 mmHg
Solubility可溶
Density1.422
Stability易吸潮
Flash Point256-257°C
Appearance 白色针状结晶，熔点61-62℃，沸点256-257℃，106-108（0.8kPa）。具有浓郁、持久而细腻的山楂子和香美兰香气。在碱性物质中其香色和颜色都不变化。

别名和识别编码

Chemical Name4-Methoxybenzonitrile
CAS Number874-90-8
Synonym 4-Methoxybenzonitrile {LY} 4-Methoxybenzonitrile 4-methoxybenzonitrile 4-methoxybenzonitrile, 15N-labeled 4-methoxybenzonitrile, cyano-14C-labeled p-methoxybenzonitrile para-methoxybenzonitrile {} {LY} 4-Methoxybenzonitrile {} {} {LY} 4-Methoxybenzonitrile {} {} {} {LY} 4-Methoxybenzonitrile {} {} {} {} {LY} 4-Methoxybenzonitrile {} {} {} {} {} {LY} 4-Methoxybenzonitrile {} {} {} {} {} {} {LY} 4-Methoxybenzonitrile {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzonitrile {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00001818
EC Number212-871-6
Beilstein Registry Number10(3)344
PubChem Substance ID70129
Alfabeta NameMETHOXYBENZONITRILE 4-
Reaxys-RN508117
Chemical Name Translation4-甲氧基苯甲腈
InChIKeyXDJAAZYHCCRJOK-UHFFFAOYSA-N
LabNetwork Molecule IDLN00183368
InChIInChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
Canonical SMILESN#CC1=CC=C(OC)C=C1
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分类

  • Aromatics
  • Miscellaneous Reagents
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: III/35D2
  • Short: III/31a
  • Short: II/14a
  • Beilstein:10(3)344

安全信息

Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Packing GroupIII
UN Number 3439 3276 UN3439
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H301+H311+H331
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • 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
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Warnings HYGROSCOPIC, TOXIC
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P301+P310+P330
  • P301+P312
  • P301+P317
  • P302+P352
  • P302+P352+P312+P361+P364
  • P304+P312
  • P304+P340
  • P304+P340+P311
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Class6.1

其他信息

  • TCI Shanghai:4-甲氧基氰苯 Anisonitrile,>;98.0%(GC)(874-90-8)
  • Acros Organics:茴香腈 Anisonitrile, 99%(874-90-8)
  • Sigma Aldrich:874-90-8(sigmaaldrich)
  • 用途一:该品性能稳定，特别适用于调配各种日化、皂用和烟用香精。对皮肤试验安全。是调配铃兰、紫罗兰、薰衣草香型的优秀原料。
  • Alfa Aesar:4-甲氧基苯甲腈,99% 4-Methoxybenzonitrile, 99%(874-90-8)
  • 方法一:由对甲氧基苯胺经重氮化、氰化，再精制而得。
  • 用途二:该品性能稳定，工业上特别适用于调配各种日化、皂用和烟用香精。对皮肤试验安全。是调配铃兰、紫罗兰、薰衣草香型的优秀原料。
  • 海关编码:29269095
  • 4-甲氧基氰苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0493 大茴香腈 Anisonitrile 25G 764元 2010/06/21 158050250 4-甲氧基氰苯 Anisonitrile 99% 25 GR 1065元 2010/06/21 158051000 4-甲氧基氰苯 Anisonitrile 99% 100 GR 2927元
  • 下游产品:
  • 敏感性:Hygroscopic
  • MSDS 信息:4-Methoxybenzonitrile(874-90-8).msds
  • 该品具有浓郁、持久而细腻的山楂子和香美兰香气。在碱性物质中其香色和颜色都不变化。溶于水。
  • 上游原料:对甲氧基苯胺
  • MOL 文件:874-90-8.mol
  • Hazard Note:Harmful
  • 图谱信息:4-甲氧基氰苯(874-90-8)红外图谱(IR1) 4-甲氧基氰苯(874-90-8)质谱(MS) 4-甲氧基氰苯(874-90-8)红外图谱(IR2)

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. Phenols 酚类
  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. Cyanides/Nitriles - 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. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles
  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. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles
  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. Cyanides/Nitriles
  6. C6 to C7

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