1H-Indole-7-Carboxylic Acid 7-吲哚甲酸

CAS 1670-83-3 MFCD00210442

化学结构图

1670-83-3
SMILES: O=C(O)c1cccc2cc[nH]c12

化学属性

Mol. FormulaC9H7NO2
Mol. Weight161.16
Melting Point202°C
Appearance 7-吲哚甲酸(1670-83-3)为类白色结晶。熔点198-199℃。
Density1.408
Boiling Point419.6°C at 760 mmHg

别名和识别编码

Chemical Name1H-Indole-7-Carboxylic Acid
CAS Number1670-83-3
Alfabeta NameINDOLECARBOXYLICACID H17---
MDL NumberMFCD00210442
EC Number216-801-5
Synonym Indole-7-carboxylic acid {LY} Indole-7-carboxylic acid {} {LY} Indole-7-carboxylic acid {} {} {LY} Indole-7-carboxylic acid {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-7-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {}
Chemical Name Translation7-吲哚甲酸
Reaxys-RN128669
Beilstein Registry Number22(5)3,46
PubChem Substance ID125307403
InChIKeyIPDOBVFESNNYEE-UHFFFAOYSA-N
LabNetwork Molecule IDLN00003584
InChIInChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)
Canonical SMILESC1=C[NH]C2=C1C=CC=C2C(O)=O
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分类

  • {KO} CarboxylicAcids
  • {KO} AminesSecondaryHeteroNH

相关文献及参考

  • Beilstein:22(5)3,46

安全信息

Warnings IRRITANT
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Hazard Codes Xi
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
GHS Symbol
Signal word
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
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
2
H-bond Acceptors
2
Rotatable Bonds
1
LogP
1

其他信息

  • 7-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 2014/06/02 I0606 吲哚-7-羧酸 Indole-7-carboxylic Acid 5G 2790元 2014/06/02 I0606 吲哚-7-羧酸 Indole-7-carboxylic Acid 1G 805元 2010/06/21 BTB12826CA 7-吲哚甲酸 1H-indole-7-carboxylic acid 100 MG 1410元
  • 用途一:有机中间体。
  • MOL 文件:1670-83-3.mol
  • 上游原料:乙醇 --> 氢氧化钠 --> 盐酸 --> 乙酸乙酯 --> 甲醇 --> 硫酸 --> 二氯甲烷 --> N,N-二甲基甲酰胺 --> 甲苯 --> 氢氧化钾 --> 氯化钠 --> 碳酸氢钠 --> 钯 --> 氢 --> 硅凝胶 --> N,N-二甲基甲酰胺二甲基缩醛 --> 氢氧化钯 --> 3-甲基-2-硝基苯甲酸 --> 7-氰基吲哚 --> 3-甲基-2-硝基苯甲酸甲酯
  • Hazard Note:Irritant
  • Acros Organics:1H-indole-7-carboxylic acid(1670-83-3)

系列性分类


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