Benzo[d]isoxazole 1,2-苯并异恶唑

CAS 271-95-4 MFCD00005852

化学结构图

271-95-4
SMILES: c1ccc2oncc2c1

化学属性

Mol. FormulaC7H5NO
Mol. Weight119.12
Density1.174 g/mL at 25 °C(lit.)
Refractive index1.5610 to 1.5640
Boiling Point208.4°C at 760 mmHg
Flash Point86°C(lit.)
TSCANo
Melting Point139 °C

别名和识别编码

Chemical NameBenzo[d]isoxazole
Synonym 1,2-Benzisoxazole {LY} 1,2-Benzisoxazole {} {LY} 1,2-Benzisoxazole {} {} {LY} 1,2-Benzisoxazole {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Benzisoxazole {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00005852
CAS Number271-95-4
Beilstein Registry Number27,39
EC Number205-983-1
PubChem Substance ID87563924
Reaxys-RN2154
Chemical Name Translation1,2-苯并异恶唑
InChIKeyKTZQTRPPVKQPFO-UHFFFAOYSA-N
LabNetwork Molecule IDLN01740387
InChIInChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
Canonical SMILESC1=CC=C2C(=C1)C=NO2
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoxazoles
  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment

相关文献及参考

  • Short: II/27C Title: Diamagnetic Susceptibility and Magnetic Anisotropy of Organic Compounds Author: Kumar, Mahendra; Gupta, Rajni Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27C Year: 2008 Keyword: diamagnetic susceptibility; magnetic anisotropy; organic compounds ISBN: 978-3-540-44734-4 (print) ISBN: 978-3-540-44736-8 (online) Internet Resource: doi:10.1007/978-3-540-44736-8 RefComment: VIII, 204 p., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds (Part 1); Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds (Part 2). The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 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), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily a

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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
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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Signal word
Hazard statements
  • H227 Combustible liquid 可燃液体
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • Alfa Aesar:1，2-苯异唑,97% 1,2-Benzisoxazole, 97%(271-95-4)
  • F:8
  • MOL 文件:271-95-4.mol
  • 图谱信息:1,2-苯异唑(271-95-4)质谱(MS) 1,2-苯异唑(271-95-4)红外图谱(IR1) 1,2-苯异唑(271-95-4)核磁图( 1 HNMR)
  • Sigma Aldrich:271-95-4(sigmaaldrich)
  • 1,2-苯异唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0969 1,2-苯基异恶唑 1,2-Benzisoxazole 5G 722元 2010/05/25 B23400 1，2-苯异唑, 97% 1,2-Benzisoxazole, 97% 5g 640元 2010/05/25 B23400 1，2-苯异唑, 97% 1,2-Benzisoxazole, 97% 1g 195元
  • TCI Shanghai:1,2-苯基异恶唑 1,2-Benzisoxazole,>;96.0%(GC)(271-95-4)
  • 敏感性:Light Sensitive

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. Synthetic Reagents 合成试剂
  3. Oxidation - Synthetic Reagents
  4. Chromates - Oxidation
  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. Benzisoxazole 苯并异恶唑

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