Indole-3-carboxylic acid 吲哚-3-羧酸

CAS 771-50-6 MFCD00005624

化学结构图

771-50-6
SMILES: O=C(O)c1c[nH]c2ccccc12

化学属性

Mol. FormulaC9H7NO2
Mol. Weight161.16
Melting Point232-234°C
Density1.408
TSCANo
Appearance 结晶性粉末(由醋酸酯-石油醚重结晶)。
Solubility能溶于乙醇、乙醚、醋酸酯,难溶于沸水、苯,不溶于石油醚。
Boiling Point419.6°C at 760 mmHg

别名和识别编码

Chemical NameIndole-3-carboxylic acid
CAS Number771-50-6
Alfabeta NameINDOLECARBOXYLICACID 3--
MDL NumberMFCD00005624
EC Number212-231-6
Beilstein Registry Number129435
Synonym Indole-3-carboxylic acid {LY} Indole-3-carboxylic acid {} {LY} Indole-3-carboxylic acid {} {} {LY} Indole-3-carboxylic acid {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID69867
Reaxys-RN129435
Chemical Name Translation吲哚-3-羧酸
LabNetwork Molecule IDLN00120857
InChIInChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
Canonical SMILESO=C(O)C1=CNC2=CC=CC=C12
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分类

  • {SNA} Building Blocks, C7 to C9, Cell Biology, Chemical Synthesis, Heterocyclic Building Blocks, Hordeum vulgare (Barley), Indoles, Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb)
  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Hordeum vulgare (Barley), Indoles, Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb)
  • {SNA} Building Blocks
  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Hordeum vulgare (Barley), Indoles, Nutrition Research,
  • {SNA} Building Blocks, C7 to C9,

产品应用

  • 用于合成托烷司琼。

相关文献及参考

  • [2]. HARTMANN F, et al. [Indolepatterns in the urine of liver patients]. Klin Wochenschr. 1962 Jul 15;40:721-9.
  • Beilstein:22(2)49
  • [1]. Byrd DJ, et al. The analysis of indolic tryptophan metabolites in human urine. Thin-layer chromatography and in situ quantitation. J Chromatogr. 1974 Jul 17;94(0):85-106.
  • [1]. Byrd DJ, et al. The analysis of indolic tryptophan metabolites in human urine. Thin-layer chromatography and in situ quantitation. J Chromatogr. 1974 Jul 17;94(0):85-106.
  • [2]. HARTMANN F, et al. [Indolepatterns in the urine of liver patients]. Klin Wochenschr. 1962 Jul 15;40:721-9.

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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;
  • S37 Wear suitable gloves 戴适当手套;
  • 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;
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
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSNK7882892
Hazard Codes Xn Xn,Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 图谱信息:3-吲哚甲酸(771-50-6)红外图谱(IR2) 3-吲哚甲酸(771-50-6)质谱(MS) 3-吲哚甲酸(771-50-6)红外图谱(IR1)
  • MOL 文件:771-50-6.mol
  • Acros Organics:吲哚-3-羧酸 Indole-3-carboxylic acid, 99%(771-50-6)
  • 上游原料:4-苄氧基吡啶 N-氧化物
  • 3-吲哚甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010137 吲哚-3-羧酸;3-羧基吲哚 10g 360元 2011/04/16 I0028 吲哚-3-羧酸 Indole-3-carboxylic Acid 25G 1580元 2011/04/16 I0028 吲哚-3-羧酸 Indole-3-carboxylic Acid 5G 538元
  • Hazard Note:Irritant
  • Alfa Aesar:吲哚-3-羧酸,98% Indole-3-carboxylic acid, 98%(771-50-6)
  • TCI Shanghai:吲哚-3-羧酸 Indole-3-carboxylic Acid,>;98.0%(LC)(T)(771-50-6)
  • Sigma Aldrich:771-50-6(sigmaaldrich)
  • 下游产品:1-甲基吲哚-3-甲酸 --> 2-吲哚甲酸
  • 用途一:医药中间体,用于合成托烷司琼、抗病毒药等

系列性分类


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