Indole-5-carboxaldehyde 5-吲哚甲醛
CAS 1196-69-6 MFCD02093664
化学结构图
SMILES: O=Cc1ccc2[nH]ccc2c1
化学属性
| Mol. Formula | C9H7NO |
|---|---|
| Mol. Weight | 145.16 |
| Melting Point | 100-103°C |
| Density | 1.422 |
| TSCA | No |
| Stability | 对空气敏感 |
| Boiling Point | 339.1±15.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | Indole-5-carboxaldehyde |
|---|---|
| CAS Number | 1196-69-6 |
| Alfabeta Name | INDOLECARBOXALDEHYDE 5-- |
| MDL Number | MFCD02093664 |
| Synonym | Indole-5-aldehyde {LY} Indole-5-aldehyde {} {LY} Indole-5-aldehyde {} {} {LY} Indole-5-aldehyde {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-5-aldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} |
| PubChem Substance ID | 87577948 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 1524963 |
| Reaxys-RN | 1524963 |
| Chemical Name Translation | 5-吲哚甲醛 |
| LabNetwork Molecule ID | LN00115451 |
| Canonical SMILES | O=CC1=CC=C(NC=C2)C2=C1 |
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分类
- {SNA} Aldehydes, Building Blocks, C7 to C9, C9, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks
- Aldehydes, Building Blocks, C7 to C9, C9, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks
相关文献及参考
- 1. Katsori, A.-M.; et al. Eur. J. Med. Chem. 46 , 2722, (2011) 摘要
- 2. Capek, P.; et al. ACS Chem. Neurosci. 2 , 288, (2011) 摘要
- 3. Cui, M.; et al. J. Med. Chem. 54 , 2225, (2011) 摘要
- 4. Alvarez, R.; et al. Chem. Eur. J. 17 , 3406, (2011)
- 5. Balducci, E.; et al. Eur. J. Org. Chem. , 311, (2011)
- 6. Coumar, M., S.; et al. J. Med. Chem. 52 , 1050, (2009) 摘要
- Bahara, R. S.; Kulkarni, V. M. , Synthesis, QSAR and hypoglycemic activity of substituted 2,4-thiazolidinedione derivatives Der Pharma Chemica 3 , 164, (2011)
- J. Org. Chem. 67 , 6256, (2002) 摘要
- Bioorg. Med. Chem. Lett. 10 , 719, (2000) 摘要
- Beil. 21 ,8,264
安全信息
GHS Symbol
- 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。
- 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+P332+P313+P362+P364
- P305+P351+P338
- P305+P351+P338+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
- 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
- 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；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- 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；
- S37 Wear suitable gloves 戴适当手套；
- 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；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
其他信息
- MOL 文件:1196-70-9.mol
- Acros Organics:5-吲哚甲醛 Indole-5-carboxaldehyde,98+%(1196-69-6)
- Sigma Aldrich:1196-70-9(sigmaaldrich)
- Hazard Note:Irritant/Keep Cold
- Alfa Aesar:吲哚-5-甲醛,98% Indole-5-carboxaldehyde, 98%(1196-69-6)
- 敏感性:Air Sensitive
- TCI Shanghai:吲哚-5-甲醛 Indole-5-carboxaldehyde,>;98.0%(GC)(1196-69-6)
- MOL 文件:1196-69-6.mol
- 吲哚-6-甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0743 吲哚-6-甲醛 Indole-6-carboxaldehyde 5G 3220元 2014/06/02 I0743 吲哚-6-甲醛 Indole-6-carboxaldehyde 1G 923元
- 上游原料:N,N-二甲基甲酰胺 --> 叔丁基锂 --> 5-溴吲哚 --> 氢化钾
- Sigma Aldrich:1196-69-6(sigmaaldrich)
- 5-吲哚甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0674 吲哚-5-甲醛 Indole-5-carboxaldehyde 25G 3990元 2014/06/02 I0674 吲哚-5-甲醛 Indole-5-carboxaldehyde 5G 1210元 2010/06/21 391630010 5-吲哚甲醛 Indole-5-carboxaldehyde 98+% 1 GR 684元
- 图谱信息:5-吲哚甲醛(1196-69-6)红外图谱(IR1) 5-吲哚甲醛(1196-69-6)红外图谱(IR2) 5-吲哚甲醛(1196-69-6)质谱(MS) 5-吲哚甲醛(1196-69-6)核磁图( 13 CNMR) 5-吲哚甲醛(1196-69-6)核磁图( 1 HNMR)
- 上游原料:N,N-二甲基甲酰胺 --> 钯 --> 二氧化锰 --> N,N-二甲基甲酰胺二甲基缩醛 --> 三氯化钛 --> 4-甲基-3-硝基苯甲酸甲酯
