3-Methoxy-4-bromomethylbenzoic acid methyl ester 4-溴甲基-3-甲氧基苯甲酸甲酯
CAS 70264-94-7 MFCD00270115
化学结构图
SMILES: COC1=CC(=CC=C1CBr)C(=O)OC
化学属性
| Mol. Formula | C10H11BrO3 |
|---|---|
| Mol. Weight | 259.10 |
| Melting Point | 92.0 to 96.0 deg-C |
别名和识别编码
| Chemical Name | 3-Methoxy-4-bromomethylbenzoic acid methyl ester |
|---|---|
| CAS Number | 70264-94-7 |
| Alfabeta Name | METHYLBROMOMETHYLMETHOXYBENZOATE 43()--- |
| MDL Number | MFCD00270115 |
| PubChem Substance ID | 172089069 |
| EC Number | 410-310-1 |
| Synonym | 4-(溴甲基)-3-甲氧基苯甲酸甲酯 |
| Chemical Name Translation | 4-溴甲基-3-甲氧基苯甲酸甲酯 |
| Reaxys-RN | 2729974 |
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分类
- {KO} ReacBromides
- {KO} Esters
- {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
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。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P302+P352+P333+P313+P362+P364
- 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。
- P273 Avoid release to the environment. 避免释放到环境中。
- P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
- P333+P313
- P302+P350
- P305+P351+P338
- P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
- H315 Causes skin irritation 会刺激皮肤
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H318 Causes serious eye damage 严重伤害眼睛
- H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
- 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；
- 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；
- R50/53
- R38 Irritating to skin 刺激皮肤
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
- 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 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
4
H-bond Donors
0
LogP
2
