3-(4-Chlorophenyl)-1H-Pyrazol-5-Amine 3-(4-氯苯基)-1H-吡唑-5-胺

CAS 78583-81-0 MFCD00053046

化学结构图

78583-81-0
SMILES: NC1=CC(=NN1)C1C=CC(Cl)=CC=1

化学属性

Mol. FormulaC9
Mol. Weight194
Melting Point173.0 to 177.0 deg-C
TSCANo

别名和识别编码

Chemical Name3-(4-Chlorophenyl)-1H-Pyrazol-5-Amine
CAS Number78583-81-0
Alfabeta NameCHLOROPHENYLPYRAZOLAMINE H3415()------
MDL NumberMFCD00053046
PubChem Substance ID354333619
Synonym 3-(4-Chlorophenyl)-1H-pyrazol-5-amine 5-氨基-3-(4-氯苯基)吡唑
Chemical Name Translation3-(4-氯苯基)-1H-吡唑-5-胺
Reaxys-RN643279
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Building Blocks, C3-C9, C9, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyrazoles
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • 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+P337+P313
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Danger
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • 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 Donors
2
H-bond Acceptors
1
Rotatable Bonds
1
LogP
2

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. C9 - Pyrazoles
  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. Pyrazoles - Halogenated Heterocycles
  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

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