Xanthene-9-Carboxylic Acid 呫吨-9-羧酸
CAS 82-07-5 MFCD00005059
化学结构图
SMILES: O=C(O)C1c2ccccc2Oc2ccccc21
化学属性
| Mol. Formula | C14H10O3 |
|---|---|
| Mol. Weight | 226 |
| Melting Point | 210.0 to 217.0 deg-C |
| TSCA | No |
| Solubility | methanol: 0.1 g/mL, clear |
别名和识别编码
| Chemical Name | Xanthene-9-Carboxylic Acid |
|---|---|
| MDL Number | MFCD00005059 |
| CAS Number | 82-07-5 |
| Synonym | 占吨酸 XANTHANOIC ACID 呫吨-9-羧酸 呫吨-9-甲酸, 98% xanthoic acid XANTHENE-9-CARBOXYLIC ACID Xanthene-9-carboxylicacid,98% 呫吨酸 吨-9-羧酸 |
| EC Number | 201-394-9 |
| Beilstein Registry Number | 18(2)279 |
| PubChem Substance ID | 65736 |
| Chemical Name Translation | 呫吨-9-羧酸 |
| Reaxys-RN | 174414 |
| LabNetwork Molecule ID | LN00221225 |
| InChI | InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16) |
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分类
- {SNA} Analytical Standards, Pharmacopeia Metrological Institutes Standards, USP Standards, USP Standards U - Z, 分析/色谱
- {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, O-Containing, Others
- {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, O-Containing, Other Heterocyclic Building Blocks
- {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards, USP Standards, USP Standards U - Z
产品应用
- 抗胆碱药溴化丙胺太林的中间体。
相关文献及参考
- Beilstein:18(2)279
安全信息
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- 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；
- S37 Wear suitable gloves 戴适当手套；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
- 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。
- P302+P352+P332+P313+P362+P364
- P332+P313
- P501a
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P302+P352
- P305+P351+P338
- P405 Store locked up. 上锁保管。
- P305+P351+P338+P337+P313
- 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
- MOL 文件:82-07-5.mol
- 方法一:呫吨醇、氰化钠、冰乙酸、乙醇及水的混合物，在密闭的反应罐中加热，缓缓升温至95℃，压力0.1-0.2MPa，反应6h，得9-氰基呫吨。然后用碱液回流20h，再用盐酸酸化，得呫吨-9-羧酸。
- 下游产品:溴丙胺太林
- Sigma Aldrich:82-07-5(sigmaaldrich)
- Acros Organics:9H-xanthene-9-carboxylic acid(82-07-5)
- TCI Shanghai:占吨-9-羧酸 Xanthene-9-carboxylic Acid,>;98.0%(T)(82-07-5)
- 图谱信息:呫吨-9-羧酸 (82-07-5)核磁图( 13 CNMR) 呫吨-9-羧酸 (82-07-5)红外图谱(IR1) 呫吨-9-羧酸 (82-07-5)质谱(MS) 呫吨-9-羧酸 (82-07-5)核磁图( 1 HNMR)
- 上游原料:乙酸 --> 乙酸乙醇 --> 氧杂蒽 --> 9-氰基呫吨
- 用途一:抗胆碱药溴化丙胺太林的中间体。
- Alfa Aesar:吨-9-羧酸,98% Xanthene-9-carboxylic acid, 98%(82-07-5)
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