Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- 5-(bromomethyl)-3-(4-chlorophenyl)isoxazole

CAS 5300-92-5 MFCD06738491

化学结构图

5300-92-5
SMILES: Clc1ccc(-c2cc(CBr)on2)cc1

化学属性

Mol. FormulaC10H7BrClNO
Mol. Weight272.53

别名和识别编码

Chemical Name5-(Bromomethyl)-3-(4-chlorophenyl)isoxazole
Synonym 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {} {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {} {} {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {} {} {} {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {} {} {} {} {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {} {} {} {} {} {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {} {} {} {} {} {} {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Bromomethyl)-3-(4-chlorophenyl)
MDL NumberMFCD06738491
InChIKeyYGCXXYLQISERCR-UHFFFAOYSA-N
Wiswesser Line NotationT5NOJ C1E ER DG
Beilstein Registry Number1212727
CAS Number5300-92-5
PubChem Substance ID21369
LabNetwork Molecule IDLN02175089
Chemical Name Translation5-(bromomethyl)-3-(4-chlorophenyl)isoxazole
InChIInChI=1S/C10H7BrClNO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-5H,6H2
Canonical SMILESC1=C(C=CC(=C1)Cl)C2=NOC(=C2)CBr
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Isoxazoles

安全信息

RTECSNY2300000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6081 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 9,431,1966

GHS Symbol
WGK Germany3
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
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P301+P310
  • P301+P316
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P354+P338
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P317
  • 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.....
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Storage condition

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. Halogenated Heterocycles 卤代杂环
  5. Isoxazoles - Halogenated Heterocycles

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