3-Phenylisoxazole-5-Carboxylic Acid 3-苯基异噁唑-5-羧酸

CAS 14442-12-7 MFCD01936010

化学结构图

14442-12-7
SMILES: OC(=O)C1=CC(=NO1)C1C=CC=CC=1

化学属性

Mol. FormulaC10H7NO3
Mol. Weight189.17
Melting Point178-182 °C(lit.)
TSCANo

别名和识别编码

Chemical Name3-Phenylisoxazole-5-Carboxylic Acid
CAS Number14442-12-7
Alfabeta NamePHENYLISOXAZOLECARBOXYLICACID 35---
MDL NumberMFCD01936010
Synonym 3-苯基异噁唑-5-羧酸
Chemical Name Translation3-苯基异噁唑-5-羧酸
PubChem Substance ID354334119
Reaxys-RN147588
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分类

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

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
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；
  • S37 Wear suitable gloves 戴适当手套；
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
Storage condition Moisture & Light Sensitive
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P337+P313

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
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. 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. 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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