2-(1,2-Benzisoxazol-3-yl)acetic acid 1,2-苯并异唑-3-乙酸

CAS 4865-84-3 MFCD02180388

化学结构图

4865-84-3
SMILES: O=C(O)Cc1noc2ccccc12

化学属性

Mol. FormulaC9H7NO3
Mol. Weight177.16
Melting Point123 °C
Density1.422
Boiling Point377.3 °C at 760 mmHg

别名和识别编码

Chemical Name1,?2-?Benzisoxazol-?3-?ylacetic Acid
CAS Number4865-84-3
Alfabeta NameBENZISOXAZOLYLACETICACID 2123()----,
MDL NumberMFCD02180388
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation1,2-苯并异唑-3-乙酸
Synonym 2-(1,2-Benzisoxazol-3-yl)acetic acid {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {} {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(1,2-Benzisoxazol-3-yl)acetic a
Reaxys-RN516277
PubChem Substance ID301729
LabNetwork Molecule IDLN00010137
InChIInChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)
Canonical SMILESO=C(O)CC1=NOC2=C1C=CC=C2
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分类

  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Signal word Warning
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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
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
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • 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。
  • P301+P312
  • P301+P317
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
Storage condition -20°C, sealed storage, away from moisture {LY} -20°C, sealed storage, away from moisture Store at room temperature {} {LY} -20°C, sealed storage, away from moisture {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed st

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
1

系列性分类


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