4-[(1,3,5-Trimethyl-1H-pyrazol-4-yl)methyl]-benzenol

CAS 75999-00-7 MFCD00138770

化学结构图

75999-00-7
SMILES: CC1=C(CC2C=CC(O)=CC=2)C(C)=NN1C

化学属性

Mol. FormulaC13H16N2O
Mol. Weight216.28
Melting Point170-171°

别名和识别编码

Chemical Name4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenol
CAS Number75999-00-7
Alfabeta NameTRIMETHYLPYRAZOLYLMETHYLBENZENOL H413514[]()-------,,
MDL NumberMFCD00138770
Synonym 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenol
PubChem Substance ID329789909
Chemical Name Translation
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SNA} Building Blocks, C12 to C37, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
  • {KO} ArylOHs

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P301+P310
  • 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。
  • P305+P351+P338
Signal word Danger
Safety Statements
  • 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；
  • 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）；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Hazard statements
  • H318 Causes serious eye damage 严重伤害眼睛
  • H301 Toxic if swallowed 吞食有毒
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险

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
2
Rotatable Bonds
2
H-bond Donors
1
LogP
3

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. Pyrazoles 吡唑
  5. C12 to C37 - Pyrazoles

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