5-(Tert-Butyl)-2-Hydroxyisophthalaldehyde 5-(叔丁基)-2-羟基间苯二甲醛
CAS 84501-28-0 MFCD01567135
化学结构图
SMILES: CC(C)(C)C1=CC(C=O)=C(O)C(=C1)C=O
化学属性
| Mol. Formula | (CH3)3CC6H2(CHO)2OH |
|---|---|
| Mol. Weight | 206 |
| Melting Point | 99-103 °C(lit.) |
别名和识别编码
| Chemical Name | 5-(Tert-Butyl)-2-Hydroxyisophthalaldehyde |
|---|---|
| CAS Number | 84501-28-0 |
| Alfabeta Name | BUTYLHYDROXYISOPHTHALALDEHYDE TERT52()---- |
| MDL Number | MFCD01567135 |
| Synonym | 4-叔丁基-2,6-二甲酰基苯酚 5-(1,1-二甲基乙基)-2-羟基-1,3-苯二甲醛 |
| PubChem Substance ID | 24879380 |
| Chemical Name Translation | 5-(叔丁基)-2-羟基间苯二甲醛 |
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分类
- {KO} Alcohols
- {KO} Aldehydes
- {SNA} Aldehydes, Building Blocks, C10-C12, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
相关文献及参考
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。
- P305+P351+P338
- 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 Wear suitable protective clothing 穿戴适当的防护服；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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 Acceptors
3
Rotatable Bonds
3
H-bond Donors
1
LogP
2
