Methyl 5-Bromosalicylate 2-羟基-5-溴苯甲酸甲酯

CAS 4068-76-2 MFCD00016460

化学结构图

4068-76-2
SMILES: COC(=O)c1cc(Br)ccc1O

化学属性

Mol. FormulaC8H7BrO3
Mol. Weight231.04
Melting Point61-65°C
Boiling Point266.6°C at 760 mmHg

别名和识别编码

Chemical NameMethyl 5-Bromosalicylate
CAS Number4068-76-2
Alfabeta NameMETHYLBROMOHYDROXYBENZENECARBOXYLATE 52---
MDL NumberMFCD00016460
PubChem Substance ID77683
EC Number223-776-4
Synonym Methyl 5-bromo-2-hydroxybenzoate {LY} Methyl 5-bromo-2-hydroxybenzoate {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 5-bromo-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation2-羟基-5-溴苯甲酸甲酯
InChIKeyFJYDBKPPGRZSOZ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00130131
InChIInChI=1S/C8H7BrO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
Canonical SMILESCOC(=O)C1=C(O)C=CC(Br)=C1
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分类

  • {KO} ArylOHs
  • {KO} ReacBromides
  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {KO} Esters
  • Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

安全信息

Warnings IRRITANT
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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • 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
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • 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；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
1
LogP
2

其他信息

  • Sigma Aldrich:4068-76-2(sigmaaldrich)
  • 上游原料:甲醇 --> 乙酸 --> 溴 --> 水杨酸甲酯
  • Hazard Note:Irritant
  • MOL 文件:4068-76-2.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Arenes 芳烃
  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. C8 to C9 - Esters

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