5-Bromo-1H-Indole-2-Carbaldehyde 5-溴吲哚-2-甲醛
CAS 53590-50-4 MFCD06738773
化学结构图
SMILES: O=CC1=CC2=CC(Br)=CC=C2N1
化学属性
| Mol. Formula | C9H6BrNO |
|---|---|
| Mol. Weight | 224.05 |
| Melting Point | 227-230 |
| Density | 1.422 |
别名和识别编码
| Chemical Name | 5-Bromo-1H-Indole-2-Carbaldehyde |
|---|---|
| CAS Number | 53590-50-4 |
| Alfabeta Name | BROMOINDOLECARBALDEHYDE H512----- |
| MDL Number | MFCD06738773 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 2384789 |
| Synonym | 5-bromo-1H-indole-2-carbaldehyde |
| Chemical Name Translation | 5-溴吲哚-2-甲醛 |
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分类
- {KO} AminesSecondaryHeteroNH
- {KO} Aldehydes
- {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indoles
相关文献及参考
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；
- S36/37 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；
- S7/47 Keep container tightly closed and at temperature not exceeding ... °C (to be specified by the manufacturer) 保持容器严格密闭，温度不超过….°C（由生产厂家指定）；
- 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 Irritating to eyes 刺激眼睛
- P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
- 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。
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
1
H-bond Acceptors
1
Rotatable Bonds
1
LogP
2
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