(6-Bromo-1,3-benzodioxol-5-yl)methanol (6-溴-苯并[d] [1,3]二氧杂环戊烯-5-基)甲醇

CAS 6642-34-8 MFCD02082027

化学结构图

6642-34-8
SMILES: OCc1cc2c(cc1Br)OCO2

化学属性

Mol. FormulaC8H7BrO3
Mol. Weight231.04338
Melting Point90-92 °C
Boiling Point336.1±42.0 °C at 760 mmHg

别名和识别编码

Chemical Name(6-Bromobenzo[d][1,3]Dioxol-5-yl)Methanol
CAS Number6642-34-8
Alfabeta NameBROMOBENZODIOXOLYLMETHANOL 6135()-----,
MDL NumberMFCD02082027
Synonym (6-Bromo-1,3-benzodioxol-5-yl)methanol {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {} {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {} {} {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {} {} {} {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {} {} {} {} {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (6-Bromo-1,3-benzodioxol-5-yl)methanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (6-
Chemical Name Translation(6-溴-苯并[d] [1,3]二氧杂环戊烯-5-基)甲醇
PubChem Substance ID225817
InChIInChI=1S/C8H7BrO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2,10H,3-4H2
LabNetwork Molecule IDLN00145976
Canonical SMILESOCC1=C(Br)C=C(OCO2)C2=C1
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分类

  • {SNA} Benzodioxanes, Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks
  • {KO} Alcohols
  • {KO} ReacBromides

相关文献及参考

安全信息

Warnings IRRITANT
WGK Germany3
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
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。
  • P264+P265
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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
1
H-bond Donors
1
LogP
1

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. Benzodioxanes 苯并二恶烷

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