5-Methyl-3-isoxazolecarboxylic acid 5-甲基-3-异恶唑羧酸

CAS 3405-77-4 MFCD01318162

化学结构图

3405-77-4
SMILES: Cc1cc(C(=O)O)no1

化学属性

Mol. FormulaC5H5NO3
Mol. Weight127.10
Density1.348
Melting Point168°C
TSCANo
Boiling Point312.5°C at 760 mmHg

别名和识别编码

Chemical Name5-Methyl-3-isoxazolecarboxylic acid
CAS Number3405-77-4
Alfabeta NameMETHYLISOXAZOLECARBOXYLICACID 53---
MDL NumberMFCD01318162
EC Number222-289-4
Beilstein Registry Number114094
Synonym 5-Methylisoxazole-3-carboxylic acid {LY} 5-Methylisoxazole-3-carboxylic acid {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazole-3-carboxylic acid {} {} {} {} {}
PubChem Substance ID253662592
Chemical Name Translation5-甲基-3-异恶唑羧酸
InChIKeyBNMPIJWVMVNSRD-UHFFFAOYSA-N
Reaxys-RN114094
LabNetwork Molecule IDLN00010074
InChIInChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
Canonical SMILESO=C(C1=NOC(C)=C1)O
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分类

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

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • 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;
  • 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;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
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。
  • 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。
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 上游原料:硝酸 --> 2,5-己二酮
  • Sigma Aldrich:3405-77-4(sigmaaldrich)
  • Hazard Note:Irritant
  • 检测方法:HPLC
  • 5-甲基异恶唑-3-甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 CC10401DA 5-甲基异恶唑-3-甲酸 5-methylisoxazole-3-carboxylic acid 1 GR 375元 2010/06/21 CC10401EE 5-甲基异恶唑-3-甲酸 5-methylisoxazole-3-carboxylic acid 50 GR 3375元 2010/06/21 CC10401EA 5-甲基异恶唑-3-甲酸 5-methylisoxazole-3-carboxylic acid 10 GR 2325元
  • Acros Organics:5-methylisoxazole-3-carboxylic acid(3405-77-4)
  • MOL 文件:3405-77-4.mol
  • Alfa Aesar:5-甲基异唑-3-甲酸,98+% 5-Methylisoxazole-3-carboxylic acid, 98+%(3405-77-4)

系列性分类


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