3-phenyl-1H-indole-2-carboxylic acid 3-苯基-1h-吲哚-2-羧酸

CAS 6915-67-9 MFCD00974212

化学结构图

6915-67-9
SMILES: O=C(O)c1[nH]c2ccccc2c1-c1ccccc1

化学属性

Mol. FormulaC15H11NO2
Mol. Weight237.25
Melting Point195-197 °C
TSCANo

别名和识别编码

Chemical Name3-Phenyl-1H-indole-2-carboxylic acid
CAS Number6915-67-9
Alfabeta NamePHENYLINDOLECARBOXYLICACID H312-----
MDL NumberMFCD00974212
Synonym 3-Phenyl-1h-indole-2-carboxylic acid {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenyl-1h-indole-2-carboxylic a
Chemical Name Translation3-苯基-1h-吲哚-2-羧酸
PubChem Substance ID2763657
LabNetwork Molecule IDLN00147268
InChIInChI=1S/C15H11NO2/c17-15(18)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9,16H,(H,17,18)
Canonical SMILESC1=CC=C(C=C1)C2=C(C(=O)O)NC3=CC=CC=C32
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分类

  • {SNA} Building Blocks, C13 to C27, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S37 Wear suitable gloves 戴适当手套；
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
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
GHS Symbol
WGK Germany3
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
  • 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。
  • P302+P352
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard Codes Xn
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
Storage condition

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 Acceptors
2
Rotatable Bonds
2
H-bond Donors
2
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  5. C13 to C27 - Indoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Indole Acids

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