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 {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {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


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