3-Cyanophenol 3-氰基苯酚

CAS 873-62-1 MFCD00002252

化学结构图

873-62-1
SMILES: N#Cc1cccc(O)c1

化学属性

Mol. FormulaC7H5NO
Mol. Weight119.12
Density1.422
Melting Point78-81°C
TSCANo
Boiling Point222.38 °C at 760 mmHg

别名和识别编码

Chemical Name3-Cyanophenol
CAS Number873-62-1
Alfabeta NameCYANOPHENOL 3-
MDL NumberMFCD00002252
Synonym 3-Hydroxybenzonitrile {LY} 3-Hydroxybenzonitrile {} {LY} 3-Hydroxybenzonitrile {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number212-845-4
Beilstein Registry Number10,141
PubChem Substance ID13394
Reaxys-RN2041515
Chemical Name Translation3-氰基苯酚
InChIKeySGHBRHKBCLLVCI-UHFFFAOYSA-N
LabNetwork Molecule IDLN00115715
InChIInChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
Canonical SMILESN#CC1=CC=CC(O)=C1
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分类

  • {SNA} Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment

相关文献及参考

  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR)

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
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；
  • 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
  • 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
  • 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
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。
  • 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+P312
  • P301+P312+P330
  • P302+P352
  • P302+P352+P312+P362+P364
  • P304+P340
  • P304+P340+P312
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • 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, Faceshields, Gloves
Hazard Codes 6.1 Xn
Packing GroupIII
Hazard Class6.1
UN Number 3276 3439
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

  • MSDS 信息:3-Cyanophenol(873-62-1).msds
  • Acros Organics:3-氰基苯酚 3-Cyanophenol, 97%(873-62-1)
  • Alfa Aesar:3-羟基苯甲腈,99% 3-Hydroxybenzonitrile, 99%(873-62-1)
  • MOL 文件:873-62-1.mol
  • Hazard Note:Harmful
  • TCI Shanghai:3-氰基苯酚 3-Cyanophenol,>;98.0%(GC)(873-62-1)
  • Sigma Aldrich:873-62-1(sigmaaldrich)
  • 图谱信息:3-羟基苯腈(873-62-1)红外图谱(IR1) 3-羟基苯腈(873-62-1)红外图谱(IR2) 3-羟基苯腈(873-62-1)质谱(MS) 3-羟基苯腈(873-62-1)核磁图( 1 HNMR) 3-羟基苯腈(873-62-1)核磁图( 13 CNMR)
  • 3-羟基苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1583 3-氰基苯酚 3-Cyanophenol 5G 681元 2014/06/02 C1583 3-氰基苯酚 3-Cyanophenol 25G 2150元 2010/06/21 110820500 3-羟基苯腈 3-Cyanophenol 97% 50 GR 4278元

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. 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. 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

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