1-Cyanocyclopropanecarboxylic acid 1-氰基-1-环丙烷羧酸

CAS 6914-79-0 MFCD00190651

化学结构图

6914-79-0
SMILES: N#CC1(C(=O)O)CC1

化学属性

Mol. FormulaC5H5NO2
Mol. Weight111.10
Boiling Point142 °C at 760 mmHg
Melting Point140°C
TSCANo

别名和识别编码

Chemical Name1-Cyanocyclopropanecarboxylic acid
CAS Number6914-79-0
Alfabeta NameCYANOCYCLOPROPANECARBOXYLICACID 1-
MDL NumberMFCD00190651
PubChem Substance ID2733259
Synonym 1-Cyano-1-cyclopropanecarboxylic acid {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Cyano-1-cyclopropanecarboxylic acid {} {} {} {} {} {} {} {} {
Chemical Name Translation1-氰基-1-环丙烷羧酸
LabNetwork Molecule IDLN00116895
InChIInChI=1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)
Canonical SMILESOC(C1(C#N)CC1)=O
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分类

  • {SNA} Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {KO} CoreScaffolds
  • {KO} Nitriles
  • {KO} CarboxylicAcids

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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
  • P301+P330+P331
  • P302+P352
  • P302+P361+P354
  • P303+P361+P353
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P316
  • P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H332 Harmful if inhaled 吸入有害
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Safety Statements
  • 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）；
  • 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；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • 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；
  • S25 Avoid contact with eyes 避免眼睛接触；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
Packing GroupIII
UN Number UN 3261 8/PG 2 3261 UN2923
Risk Statements
  • R34 Causes burns 会导致灼伤
  • 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
Hazard Codes C
Hazard Class8
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
3
Rotatable Bonds
1
LogP
5.816000000000000e-001

其他信息

  • Acros Organics:1-氰基-1-环丙烷羧酸 1-Cyano-1-cyclopropanecarboxylic acid, 97%(6914-79-0)
  • 1-氰基-1-环丙烷羧酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 H27730 1-氰基-1-环丙烷羧酸,97% 1-Cyano-1-cyclopropanecarboxylic acid, 97% 5g 1077元 2010/05/25 H27730 1-氰基-1-环丙烷羧酸,97% 1-Cyano-1-cyclopropanecarboxylic acid, 97% 1g 325元
  • MOL 文件:6914-79-0.mol
  • 图谱信息:1-氰基-1-环丙烷羧酸(6914-79-0)质谱(MS)
  • Alfa Aesar:1-氰基-1-环丙烷羧酸,97% 1-Cyano-1-cyclopropanecarboxylic acid, 97%(6914-79-0)
  • Sigma Aldrich:6914-79-0(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  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
  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. C1 to C5 - Carboxylic Acids

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