4-Cyanophenol 4-羟基苯甲腈

CAS 767-00-0 MFCD00002312

化学结构图

767-00-0
SMILES: N#Cc1ccc(O)cc1

化学属性

Mol. FormulaC7H5NO
Mol. Weight119.12
Melting Point110-113°C
Density1.22
TSCAYes
Solubility略溶于水
Boiling Point146 °C at 2 mmHg
Appearance 纯品为具有光泽的鳞片状白色结晶，m.p.112～113℃，b.p.145℃/133.3 Pa，能溶于多种有机溶剂，易溶于热水。

别名和识别编码

Chemical Name4-Cyanophenol
CAS Number767-00-0
Alfabeta NameHYDROXYBENZONITRILE 4-
MDL NumberMFCD00002312
Beilstein Registry Number386130
PubChem Substance ID13019
EC Number212-175-2
Reaxys-RN386130
Synonym 4-Cyanophenol {LY} 4-Cyanophenol {} {LY} 4-Cyanophenol {} {} {LY} 4-Cyanophenol {} {} {} {LY} 4-Cyanophenol {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation4-羟基苯甲腈
Wiswesser Line NotationQR DCN
LabNetwork Molecule IDLN00173753
InChIInChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
Canonical SMILESN#CC1=CC=C(O)C=C1
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分类

  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, H, H-M, HU - HZ, 农残和代谢标准品, 按照字母排序
  • {SNA} All alphabetically sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, H, H-M, HU - HZ, Pesticides & Metabolites
  • Alpha sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Chromatography, Environ

产品应用

  • 对羟基苯甲腈是极为重要的精细有机化工原料和中间体。广泛用于合成多种医药、香料、农药、液晶材料和缓蚀剂等。

相关文献及参考

  • Short: III/35D2
  • Beilstein:10,167

安全信息

Warnings IRRITANT
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。
  • 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。
  • 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+P312+P330
  • P305+P351+P338
  • P305+P351+P338+P337+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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSDI4375000
GHS Symbol
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xn Xn,Xi
WGK Germany3
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • 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；
  • 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）；
Risk Statements
  • R22 Harmful if swallowed 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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD691-490

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 450 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 41,391,1983

Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途四:对羟基苯腈即对氰基酚，是除草剂溴苯腈和杀虫剂杀螟腈、苯腈磷的中间体。
  • 图谱信息:4-羟基苯甲腈(767-00-0)质谱(MS) 4-羟基苯甲腈(767-00-0)红外图谱(IR2) 4-羟基苯甲腈(767-00-0)核磁图( 13 CNMR) 4-羟基苯甲腈(767-00-0)Raman光谱 4-羟基苯甲腈(767-00-0)核磁图( 1 HNMR) 4-羟基苯甲腈(767-00-0)红外图谱(IR1)
  • TCI Shanghai:4-羟基苯腈 4-Hydroxybenzonitrile,>;98.0%(GC)(T)(767-00-0)
  • Hazard Note:Irritant
  • Alfa Aesar:4-羟基苯甲腈,98+% 4-Hydroxybenzonitrile, 98+%(767-00-0)
  • 方法三:由对羧基苯甲酸在五硫化二磷存在下与尿素作用而得。将对羟基苯甲酸、尿素和五硫化二磷加入不锈钢反应器中搅拌混合，加热熔融，在200℃以上减压脱水而得。
  • 4-羟基苯甲腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0842 4-羟基苯甲腈 4-Hydroxybenzonitrile 25G 388元 2014/06/02 C0842 4-羟基苯甲腈 4-Hydroxybenzonitrile 500G 3150元 2010/06/21 110830250 4-羟基苯甲腈 4-Cyanophenol 99% 25 GR 457元
  • 海关编码:29269095
  • 用途六:对羟基苯甲腈是极为重要的精细有机化工原料和中间体。广泛用于合成多种医药、香料、农药、液晶材料和缓蚀剂等。
  • 方法一:其制备方法有多种，其中有对羟基苯甲酸酯氨化法、对甲酚氨氧化法、对羟基苯甲醛法等，国内生产采用对羟基苯甲酸法。 将对羟基苯甲酸、尿素和五氧化二磷加入不锈钢反应器中，搅拌混合，加热熔融，在减压下加热至200℃以上脱水，即得产品对氰基苯酚，收率84％。
  • Acros Organics:4-氰基苯酚 4-Cyanophenol, 99%(767-00-0)
  • MSDS 信息:4-Hydroxybenzonitrile(767-00-0).msds
  • 方法二:其制备方法是在反应釜中投入对羟基苯甲醛、盐酸羟胺和乙酸，升温搅拌回流1h，脱溶回收部分乙酸，冷却倒入水中，用氢氧化钠溶液中和，过滤、水洗得产品。 也可用对羟基苯甲酸、尿素和五硫化二磷加入不锈钢反应器搅拌混合，加热熔融，在减压下加热至200℃以上，脱水而得产品。
  • 用途五:用机合成中间体，用于生产农药杀螟腈、苯腈磷。
  • 用途一:用于生产液晶、医药、染料、农药中间体等
  • 所属类别一:农药中间体: 杀虫剂中间体: 有机磷类杀虫剂
  • 微溶于水；溶于甲醇、丙酮、乙醚、氯仿等有机溶剂。
  • 所属类别二:农药中间体: 除草剂中间体: 其他类除草剂
  • 用途三:对氰基苯酚又称对羟基苯甲腈(p-hydroxybenzonitrile)，是有机磷杀虫剂杀螟腈和苯腈磷的中间体，又是除草剂溴苯腈的中间体，同时也是液晶材料、香料等的中间体。
  • 下游产品:2-（4-羟基苯基）-5-嘧啶醇 --> 3,5-二溴-4-羟基苯腈 --> 4-羟基苯甲脒盐酸盐 --> 杀螟腈 --> 2-(4-氰基苯氧基)-2-甲基丙酸
  • 检测方法:HPLC,NMR
  • 用途二:是重要的精细化工原料和中间体，广泛用于合成多种医药、香料、农药、液晶材料和缓蚀剂等
  • MOL 文件:767-00-0.mol
  • 上游原料:尿素 --> 盐酸羟胺 --> Α-球蛋白 --> 五硫化二磷 --> 对羟基苯甲醛 --> 对羟基苯甲酸 --> 苯甲酸苄酯
  • Sigma Aldrich:767-00-0(sigmaaldrich)

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. 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. C6 to C7 - Cyanides/Nitriles
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Pesticides & Metabolites - Environmental Standards
  6. Alpha sort - Pesticides & Metabolites
  7. H-M - Alpha sort
  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. C10 to C27
  1. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals