[1,1'-Biphenyl]-4-carboxylicacid, 4'-bromo-, methyl ester 4’-溴[1,1’-联苯]-4-甲酸甲酯
CAS 89901-03-1 MFCD00496638
化学结构图
SMILES: COC(=O)C1C=CC(=CC=1)C1C=CC(Br)=CC=1
化学属性
| Mol. Formula | C14H11BrO2 |
|---|---|
| Mol. Weight | 291.14 |
| Melting Point | 140-146 °C |
| TSCA | No |
别名和识别编码
| Chemical Name | [1,1'-Biphenyl]-4-carboxylicacid, 4'-bromo-, methyl ester |
|---|---|
| CAS Number | 89901-03-1 |
| Alfabeta Name | METHYLBROMOBIPHENYLCARBOXYLATE 4114[]----,'' |
| MDL Number | MFCD00496638 |
| Synonym | 4'-Bromobiphenyl-4-carboxylic acid methyl ester Methyl 4-(4-bromophenyl)benzoate |
| PubChem Substance ID | 329763914 |
| Chemical Name Translation | 4’-溴[1,1’-联苯]-4-甲酸甲酯 |
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分类
- {SNA} Aryl, Building Blocks, C12 to C63, C13 to C37+, Carbonyl Compounds, Chemical Synthesis, Esters, Halogenated Hydrocarbons, Organic Building Blocks
- {KO} ReacBromides
- {KO} Esters
安全信息
GHS Symbol
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P273 Avoid release to the environment. 避免释放到环境中。
- 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。
- P305+P351+P338
- H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
- H318 Causes serious eye damage 严重伤害眼睛
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
- 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；
- S39 Wear eye/face protection 戴眼睛/面孔保护装置；
- R50/53
- R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
3
H-bond Donors
0
LogP
4
