3-PHENYL-1H-PYRAZOL-5-AMINE 3-氨基-5-苯基吡唑

CAS 1572-10-7 MFCD00191749

化学结构图

1572-10-7
SMILES: Nc1cc([nH][n]1)-c1ccccc1

化学属性

Mol. FormulaC9H9N3
Mol. Weight159.19
Melting Point126-127°C
Density1.422
TSCANo
Boiling Point442.3±33.0°C at 760 mmHg

别名和识别编码

Chemical Name3-PHENYL-1H-PYRAZOL-5-AMINE
CAS Number1572-10-7
Alfabeta NamePHENYLPYRAZOLAMINE H315-----
MDL NumberMFCD00191749
EC Number000-000-0
Beilstein Registry Number4947
Synonym 5-Phenyl-1H-pyrazol-3-amine {LY} 5-Phenyl-1H-pyrazol-3-amine {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Phenyl-1H-pyrazol-3
PubChem Substance ID87560594
Reaxys-RN4947
Chemical Name Translation3-氨基-5-苯基吡唑
InChIKeyPWSZRRFDVPMZGM-UHFFFAOYSA-N
LabNetwork Molecule IDLN00150889
Canonical SMILESNC1=NNC(C2=CC=CC=C2)=C1
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Building Blocks, C9, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
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;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • 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。
  • 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
  • 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
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
RTECSUQ6109000
Hazard Codes Xi
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 630 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FATOAO Farmakologiya i Toksikologiya (Moscow).  For English translation, see
   PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-   
   1939-  Volume(issue)/page/year: 27,295,1964

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
1

其他信息

  • TCI Shanghai:3-氨基-5-苯基吡唑 3-Amino-5-phenylpyrazole,>;97.0%(LC)(T)(1572-10-7)
  • 3-氨基-5-苯基吡唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A2102 3-氨基-5-苯基吡唑 3-Amino-5-phenylpyrazole 1G 370元 2014/06/02 A2102 3-氨基-5-苯基吡唑 3-Amino-5-phenylpyrazole 5G 1090元 2010/06/21 KM00060EA 3-氨基-5-苯基吡唑 5-phenyl-1H-pyrazol-3-amine 10 GR 1065元
  • Hazard Note:Irritant
  • Sigma Aldrich:1572-10-7(sigmaaldrich)
  • MOL 文件:1572-10-7.mol
  • Acros Organics:3-氨基-5-苯基吡唑 3-Amino-5-phenylpyrazole, 98%(1572-10-7)
  • 检测方法:HPLC
  • Alfa Aesar:5-苯基-1H-吡唑-3-基胺 3-Amino-5-phenyl-1H-pyrazole(1572-10-7)
  • 上游原料:盐酸 --> 四氢呋喃 --> 正丁基锂 --> 醋酸钠 --> 乙酰苯 --> 二异丙胺 --> 盐酸氨基脲

系列性分类


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