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

70264-94-7
SMILES: COC1=CC(=CC=C1CBr)C(=O)OC

化学属性

Mol. FormulaC10H11BrO3
Mol. Weight259.10
Melting Point92.0 to 96.0 deg-C

别名和识别编码

Chemical Name3-Methoxy-4-bromomethylbenzoic acid methyl ester
CAS Number70264-94-7
Alfabeta NameMETHYLBROMOMETHYLMETHOXYBENZOATE 43()---
MDL NumberMFCD00270115
PubChem Substance ID172089069
EC Number410-310-1
Synonym 4-(溴甲基)-3-甲氧基苯甲酸甲酯
Chemical Name Translation4-溴甲基-3-甲氧基苯甲酸甲酯
Reaxys-RN2729974
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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

Warnings TOXIC
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
Hazard statements
  • 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。
Signal word Danger
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xi,N
Safety Statements
  • 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；
Risk Statements
  • 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
Hazard Class9
UN Number 3077
Packing GroupIII

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

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C10 to C11 - Esters

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