1H-Indole-7-Carboxylic Acid 7-吲哚甲酸
CAS 1670-83-3 MFCD00210442
化学结构图
SMILES: O=C(O)c1cccc2cc[nH]c12
化学属性
| Mol. Formula | C9H7NO2 |
|---|---|
| Mol. Weight | 161.16 |
| Melting Point | 202°C |
| Appearance | 7-吲哚甲酸(1670-83-3)为类白色结晶。熔点198-199℃。 |
| Density | 1.408 |
| Boiling Point | 419.6°C at 760 mmHg |
别名和识别编码
| Chemical Name | 1H-Indole-7-Carboxylic Acid |
|---|---|
| CAS Number | 1670-83-3 |
| Alfabeta Name | INDOLECARBOXYLICACID H17--- |
| MDL Number | MFCD00210442 |
| EC Number | 216-801-5 |
| 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 Translation | 7-吲哚甲酸 |
| Reaxys-RN | 128669 |
| Beilstein Registry Number | 22(5)3,46 |
| PubChem Substance ID | 125307403 |
| InChIKey | IPDOBVFESNNYEE-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00003584 |
| InChI | InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12) |
| Canonical SMILES | C1=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
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- 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
- 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
- H315 Causes skin irritation 会刺激皮肤
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)
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