2-Cyanobenzoic acid 2-氰基苯甲酸

CAS 3839-22-3 MFCD00045796

化学结构图

3839-22-3
SMILES: N#Cc1ccccc1C(=O)O

化学属性

Mol. FormulaC8H5NO2
Mol. Weight147.13
Melting Point212 °C
TSCANo
Boiling Point341.9±25.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-Cyanobenzoic Acid
CAS Number3839-22-3
Alfabeta NameCYANOBENZOICACID 2-
MDL NumberMFCD00045796
Synonym 2-Cyanobenzoic acid {LY} 2-Cyanobenzoic acid {} {LY} 2-Cyanobenzoic acid {} {} {LY} 2-Cyanobenzoic acid {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanobenzoic acid {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID138061
Chemical Name Translation2-氰基苯甲酸
InChIKeyDTNSDCJFTHMDAK-UHFFFAOYSA-N
LabNetwork Molecule IDLN00116940
InChIInChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
Canonical SMILESO=C(O)C1=CC=CC=C1C#N
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分类

  • Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • 1. I. Maciagiewicz, et al., , Structure-activity studies of RNA-binding oxazolidinone derivatives Bioorg. Med. Chem. Lett. 21 , 4524-4527, (2011)
  • 2. G. Li, et al., , Enantiodifferentiating photoisomerization of cyclooctene included and sensitized by benzoate modified ß-cyclodextrin derivatives: switching of product chirality by solvent Tetrahedron Lett. 52 , 3097-3101, (2011)
  • 3. L. S. Harikrishnan, et al., , Pyrrolo[1,2-f]triazines as JAK2 inhibitors: Achieving potency and selectivity for JAK2 over JAK3 Bioorg. Med. Chem. Lett. 21 , 1425-1428, (2011)
  • 4. S. Dupuy, et al., , Decarboxylation of aromatic carboxylic acids by gold(I)-N-heterocyclic carbene (NHC) complexes Chem. Commun. 47 , 5455-5457, (2011)
  • 5. L. J. Goossen, et al., , Silver-catalyzed protodecarboxylation of carboxylic acids Chem. Commun. 46 , 7173-7175, (2009)
  • Y. Luo, et al., , Silver-catalyzed decarboxylative halogenation of carboxylic acids Tetrahedron Lett. 51 , 6646-6648, (2010)

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • 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；
  • 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
  • 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
Hazard Codes Xn Xi
Packing GroupIII
Hazard Class6.1
UN Number
Signal word
GHS Symbol
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。
  • 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+P312
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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.....
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements
  • 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

其他信息

  • Alfa Aesar:2-氰基苯甲酸 2-Cyanobenzoic acid(3839-22-3)
  • 2-氰基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 H50237 2-氰基苯甲酸 2-Cyanobenzoic acid 5g 1470元 2010/05/25 H50237 2-氰基苯甲酸 2-Cyanobenzoic acid 1g 326元
  • MOL 文件:3839-22-3.mol
  • 用途一:用作有机合成中间体
  • Sigma Aldrich:3839-22-3(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. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C8 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids