5-Methylisoxazol-3-Amine 3-氨基-5-甲基异噁唑

CAS 1072-67-9 MFCD00003155

化学结构图

1072-67-9
SMILES: Cc1cc(N)no1

化学属性

Mol. FormulaC4H6N2O
Mol. Weight98.105
Density1.422
Melting Point59-61°C
Solubility可溶
TSCAYes
Appearance 3-氨基-5-甲基异唑(1072-67-9)为白色晶体。熔点51.5℃，沸点235℃。溶于醇、醚，随水蒸气挥发。
Boiling Point183.6 °C at 760 mmHg

别名和识别编码

Chemical Name5-Methylisoxazol-3-Amine
CAS Number1072-67-9
Synonym 5-Methylisoxazol-3-amine {LY} 5-Methylisoxazol-3-amine {} {LY} 5-Methylisoxazol-3-amine {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylisoxazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number214-013-6
Beilstein Registry Number108110
MDL NumberMFCD00003155
PubChem Substance ID87562478
Alfabeta NameMETHYLISOXAZOLAMINE 53---
Reaxys-RN108110
Chemical Name Translation3-氨基-5-甲基异噁唑
LabNetwork Molecule IDLN00180066
Canonical SMILESCC1=CC(N)=NO1
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分类

  • Impurities
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoxazoles
  • Sulfur & Selenium Compounds
  • Heterocycles
  • Pharmaceuticals
  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; aromatic; 5ring; 1fragment
  • Intermediates & Fine Chemicals
  • Amines

产品应用

  • Sulfamethoxazole (SMX) (S699086) impurity. A degradation product in water by a bioluminescence method during application of the electro-Fenton treatment.

相关文献及参考

  • Herber, T., et al.: Toxicol. Lett., 131, 5 (2002),
  • Rutishauser, B., et al.: Environ. Toxicol. Chem., 2004, 23, 857 (2004),
  • Blackwell, P., et al.: J. Agric. Food Chem., 2005, 53, 2192 (2005),
  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
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
  • R5 Heating may cause an explosion 加热会引起爆炸
  • R11 Highly flammable 非常易燃
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。
  • P302+P352+P332+P313+P362+P364
  • 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
  • P302+P352
  • P305+P351+P338+P337+P313
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes F;Xi Xi-F,Xi,F
Warnings IRRITANT
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light Refrigerator {} {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, protec
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤

其他信息

  • Acros Organics:3-氨基-5-甲基异恶唑 3-Amino-5-methylisoxazole, 98+%(1072-67-9)
  • 方法一:由5-甲基异噁唑-3-甲酰胺降解而得。先将定量的氯于23℃以下通入1.02倍氢氧化钠溶液中，得到次氯酸钠溶液。将5-甲基异噁唑-3-甲酰胺于20-25℃加入次氯酸钠中，反应2h。反应液用氢氧化钠溶液调节碱浓度为5.6%，然后按1.5L/min流速，通过176℃，内压0.75MPa左右的管道。流出液用氯仿萃取，合并萃取液，回收氯仿，残留物冷却，得3-氨基-5-甲基异噁唑。
  • Sigma Aldrich:1072-67-9(sigmaaldrich)
  • 上游原料:乙醇 --> 盐酸 --> 乙酸乙酯 --> 四氢呋喃 --> 乙酸 --> 亚硝酸钠 --> 水合肼 --> 次氯酸钠 --> 邻二氯苯 --> 酞酰亚胺钾 --> 丁烯酮 --> 5-甲基异恶唑
  • MOL 文件:1072-67-9.mol
  • 图谱信息:3-氨基-5-甲基异唑(1072-67-9)红外图谱(IR2) 3-氨基-5-甲基异唑(1072-67-9)质谱(MS) 3-氨基-5-甲基异唑(1072-67-9)红外图谱(IR1)
  • Hazard Note:Irritant
  • MSDS 信息:5-Methylisoxazol-3-amine(1072-67-9).msds
  • 下游产品:N-(4-氯-2-甲氧基-5-甲基苯基)-3-羟基-2-萘甲酰胺
  • 用途一:医药中间体。用于生产磺胺类药。
  • TCI Shanghai:3-氨基-5-甲基异恶唑 3-Amino-5-methylisoxazole,>;97.0%(GC)(T)(1072-67-9)
  • Alfa Aesar:3-氨基-5-甲基异唑,98+% 3-Amino-5-methylisoxazole, 98+%(1072-67-9)
  • 3-氨基-5-甲基异唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0980 3-氨基-5-甲基异恶唑 3-Amino-5-methylisoxazole 250G 1900元 2014/06/02 A0980 3-氨基-5-甲基异恶唑 3-Amino-5-methylisoxazole 25G 330元 2010/06/21 213770500 3-氨基-5-甲基异唑 3-Amino-5-methylisoxazole 98+% 50 GR 493元
  • F:4.6
  • 海关编码:29349990

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. Isoquinolines 异喹啉
  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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