5-Amino-3-phenylisoxazole 3-苯基-5-氨基异恶唑

CAS 4369-55-5 MFCD00464114

化学结构图

4369-55-5
SMILES: Nc1cc(-c2ccccc2)no1

化学属性

Mol. FormulaC9H8N2O
Mol. Weight160.18
Melting Point108-110°C
Density1.422
TSCANo
Boiling Point379.3°C at 760 mmHg
Flash Point183.2°C

别名和识别编码

Chemical Name5-Amino-3-phenylisoxazole
CAS Number4369-55-5
Alfabeta NamePHENYLISOXAZOLAMINE 35---
MDL NumberMFCD00464114
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 3-Phenylisoxazol-5-amine {LY} 3-Phenylisoxazol-5-amine {} {LY} 3-Phenylisoxazol-5-amine {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylisoxazol-5-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylisox
PubChem Substance ID135726944
Chemical Name Translation3-苯基-5-氨基异恶唑
Reaxys-RN128670
LabNetwork Molecule IDLN00002361
InChIInChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
Canonical SMILESNC1=CC(C2=CC=CC=C2)=NO1
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoxazoles
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • P301+P312+P330
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn Xn,Xi
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 Acceptors
2
Rotatable Bonds
1
H-bond Donors
1
LogP
1

其他信息

  • Sigma Aldrich:4369-55-5(sigmaaldrich)
  • 上游原料:乙醇 --> 乙酸乙酯 --> 甲醇 --> 三氯甲烷 --> 正己烷 --> 盐酸羟胺 --> 氰化钾 --> 2-溴苯乙酮
  • Alfa Aesar:5-氨基-3-苯基异唑,97% 5-Amino-3-phenylisoxazole, 97%(4369-55-5)
  • 检测方法:HPLC
  • MOL 文件:4369-55-5.mol
  • 3-苯基-5-氨基异噁唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 H27801 5-氨基-3-苯基异唑, 97% 5-Amino-3-phenylisoxazole, 97% 5g 4116元 2010/05/25 H27801 5-氨基-3-苯基异唑, 97% 5-Amino-3-phenylisoxazole, 97% 1g 1109元

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. Isoxazoles 异恶唑
  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. Oxazoles 恶唑

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