4,4-Difluorocyclohexanecarboxylic Acid 4,4-二氟环己甲酸
CAS 122665-97-8 MFCD03788493
化学结构图
SMILES: OC(=O)C1CCC(F)(F)CC1
化学属性
| Mol. Formula | C7H10F2O2 |
|---|---|
| Mol. Weight | 164 |
| Melting Point | 103-107 |
| TSCA | No |
别名和识别编码
| Chemical Name | 4,4-Difluorocyclohexanecarboxylic Acid |
|---|---|
| CAS Number | 122665-97-8 |
| Alfabeta Name | DIFLUOROCYCLOHEXANECARBOXYLICACID 44-, |
| MDL Number | MFCD03788493 |
| Synonym | 4,4-Difluorocyclohexylcarboxylic Acid 4,4-Difluorocyclohexane-1-carboxylic Acid 4,4-二氟环己基甲酸 4,4-Difluorocyclohexanoic Acid |
| PubChem Substance ID | 24885816 |
| Chemical Name Translation | 4,4-二氟环己甲酸 |
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分类
- Pharmaceuticals
- Aliphatics
- Intermediates & Fine Chemicals
- {KO} CarboxylicAcids
- {SNA} Alkyl Fluorinated Building Blocks, Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
产品应用
- A di-substituted cyclohexane carboxylic acids used in the synthesis of macrolide antibiotics.
相关文献及参考
- Goss, R.J. et al.: Org. Biomol. Chem., 4, 5071 (2006);
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；
- 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)
H-bond Donors
1
Lipinski's Rule of 3
Y
H-bond Acceptors
2
Lipinski's Rule of 5
Y
LogP
1
Rotatable Bonds
1
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