1H-imidazole-4-carbaldehyde 1H-imidazole-4-carbaldehyde
CAS 3034-50-2 MFCD00173726
化学结构图
SMILES: O=Cc1c[nH]cn1
化学属性
| Mol. Formula | C4H4N2O |
|---|---|
| Mol. Weight | 96.09 |
| Density | 1.422 |
| Melting Point | 174-177°C |
| TSCA | No |
| Stability | 对空气敏感 |
| Appearance | 类白色结晶粉末，熔点174-177℃ |
| Boiling Point | 367.8°C at 760 mmHg |
别名和识别编码
| Chemical Name | 1H-imidazole-4-carbaldehyde |
|---|---|
| CAS Number | 3034-50-2 |
| Alfabeta Name | IMIDAZOLECARBALDEHYDE 4-- |
| MDL Number | MFCD00173726 |
| EC Number | 221-227-3 |
| Beilstein Registry Number | 24(5)2,93 |
| Synonym | 1H-Imidazole-5-carboxaldehyde {LY} 1H-Imidazole-5-carboxaldehyde {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-5-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { |
| PubChem Substance ID | 76428 |
| Reaxys-RN | 1715 |
| Chemical Name Translation | 1H-imidazole-4-carbaldehyde |
| InChIKey | ZQEXIXXJFSQPNA-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00003464 |
| InChI | InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6) |
| Canonical SMILES | O=CC1=CNC=N1 |
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分类
- {SNA} Aldehydes, Building Blocks, C1 to C6, C3 to C8, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Imidazoles, Organic Building Blocks
产品应用
- 实际合成强效 C17,20-裂解酶抑制剂的原料。裂解酶是雄激素生物合成的关键酶，也是治疗雄激素依赖性前列腺癌的药物靶标。
- 用于合成强效的抗疟疾药。
安全信息
GHS Symbol
- 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 Wear suitable protective clothing 穿戴适当的防护服；
- 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；
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- 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。
- P305+P351+P338
- 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
其他信息
- 上游原料:盐酸 --> 乙醚 --> N,N-二甲基甲酰胺 --> 碳酸钠 --> 乙酐 --> 三乙胺 --> 氢氧化铵 --> 氨 --> 苯 --> 氯化铵 --> 1,4-二氧六环 --> 甲醛 --> 异丙醇 --> 镁 --> 亚硫酸钠 --> 二氧化锰 --> 碘 --> 溴乙烷 --> 硫酸铜 --> 氢硫酸 --> 咪唑 --> 苦味酸 --> D-(-)-果糖 --> 咪唑-4,5-二羧酸 --> 三苯基氯甲烷
- 下游产品:
- Alfa Aesar:咪唑-4-甲醛,97% Imidazole-4-carboxaldehyde, 97%(3034-50-2)
- 敏感性:Air Sensitive
- MOL 文件:3034-50-2.mol
- 4-咪唑甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0636 咪唑-4-甲醛 Imidazole-4-carboxaldehyde 1G 325元 2014/06/02 I0636 咪唑-4-甲醛 Imidazole-4-carboxaldehyde 5G 883元 2010/06/21 CC08804EB 4-咪唑甲醛 1H-imidazole-4-carbaldehyde 25 GR 3075元
- Hazard Note:Irritant
- Sigma Aldrich:3034-50-2(sigmaaldrich)
- Acros Organics:1H-Imidazole-4-carbaldehyde, 97%(3034-50-2)
- TCI Shanghai:咪唑-4-甲醛 Imidazole-4-carboxaldehyde,>;98.0%(GC)(3034-50-2)
