4-Chloro-2-Pyridinecarboxylic Acid Methyl Ester 4-氯吡啶-2-甲酸甲酯
CAS 24484-93-3 MFCD04116183
化学结构图
SMILES: COC(=O)c1cc(Cl)ccn1
化学属性
| Mol. Formula | C7H6ClNO2 |
|---|---|
| Mol. Weight | 171.58 |
| Melting Point | 57.0 to 61.0 deg-C |
| Density | 1.294 |
别名和识别编码
| Chemical Name | 4-Chloro-2-Pyridinecarboxylic Acid Methyl Ester |
|---|---|
| CAS Number | 24484-93-3 |
| Alfabeta Name | METHYLCHLOROPYRIDINECARBOXYLATE 42--- |
| MDL Number | MFCD04116183 |
| Synonym | 2-Pyridinecarboxylic acid, 4-chloro-, methyl ester 4-CHLORO-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER 4-Chloro-pyridine-2-carboxylic acid methyl ester 4-Chloropyridine-2-carboxylic Acid Methyl Ester 4-氯-2-吡啶甲酸甲酯 4-氯吡啶-2-甲酸甲酯 4-氯吡啶-6-甲酸甲酯 4-氯吡啶甲酸甲酯 6-Methyl-2-(trifluoromethanesulfonyl)Oxypyridine 6-甲基吡啶-2-三氟甲磺酸酯 IFLAB-BB F2108-0101 METHYL 4-CHLORO-2-PYRIDINECARBOXYLATE METHYL 4-CHLOROPICOLINATE METHYL 4-CHLOROPYRIDINE-2-CARBOXYLATE Methyl 4-Chloro-2-picolinate Methyl 4-Chloropyridine-2-carboxylate Methyl 4-chloropyridine-2-carboxylate 97% 甲酯4-氯嘧啶-2-甲酸 |
| Reaxys-RN | 128582 |
| Beilstein Registry Number | 22(4)333 |
| PubChem Substance ID | 820890 |
| Chemical Name Translation | 4-氯吡啶-2-甲酸甲酯 |
| LabNetwork Molecule ID | LN00008986 |
| InChI | InChI=1S/C7H6ClNO2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3 |
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分类
- {KO} ReacChlorides
- Building Blocks, C7 to C18, C7 to C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines
- {KO} Esters
- {SNA} Building Blocks, C7, C7 to C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines
相关文献及参考
- Beilstein:22(4)333
安全信息
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- 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。
- 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
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P332+P313
- P305+P351+P338
- P305+P351+P338+P337+P313
- P302+P350
- P337+P313
- P302+P352+P332+P313+P362+P364
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；
- R36 Irritating to eyes 刺激眼睛
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
2
H-bond Donors
0
LogP
1
其他信息
- 4-氯吡啶-2-甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1832 4-氯-2-吡啶甲酸甲酯 Methyl 4-Chloro-2-pyridinecarboxylate 5G 2310元 2014/06/02 M1832 4-氯-2-吡啶甲酸甲酯 Methyl 4-Chloro-2-pyridinecarboxylate 1G 726元
- Hazard Note:Irritant
- 外观性质:白色固体。 熔点：59 °C
- MOL 文件:24484-93-3.mol
