4-Nitro-2-Trifluoromethylphenol 2-三氟甲基-4-硝基苯酚

CAS 1548-61-4 MFCD11100972

化学结构图

1548-61-4
SMILES: O=[N+]([O-])c1ccc(O)c(C(F)(F)F)c1

化学属性

Mol. FormulaC7H4F3NO3
Mol. Weight207.11
Melting Point105-107°C
Flash Point110°C
Boiling Point259°C at 760 mmHg
Density1.554

别名和识别编码

Chemical Name4-Nitro-2-Trifluoromethylphenol
CAS Number1548-61-4
Alfabeta NameNITROTRIFLUOROMETHYLPHENOL 42()---
MDL NumberMFCD11100972
Synonym 4-Nitro-2-(trifluoromethyl)phenol {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-2-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation2-三氟甲基-4-硝基苯酚
InChIKeyGWGZFNRFNIXCGH-UHFFFAOYSA-N
LabNetwork Molecule IDLN00151583
Canonical SMILESOC1=CC=C([N+]([O-])=O)C=C1C(F)(F)F
PubChem Substance ID3014014
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(11(13)14)1-2-6(5)12/h1-3,12H
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分类

  • {KO} Nitros
  • {KO} ArylOHs

安全信息

Warnings IRRITANT
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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。
  • 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+P312
  • 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）。
  • P330 Rinse mouth. 漱口
  • 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.....

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
0
H-bond Donors
1
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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