3-Nitrophthalic anhydride 3-硝基邻苯二甲酸酐

CAS 641-70-3 MFCD00005921

化学结构图

641-70-3
SMILES: O=C1OC(=O)c2c1cccc2[N+](=O)[O-]

化学属性

Mol. FormulaC8H3NO5
Mol. Weight193.11
Density1.422
Melting Point163-165°C
TSCAYes
SolubilityMAY DECOMPOSE
Appearance 白色针状结晶。熔点164℃。溶于丙酮、热乙醇和热乙酸,微溶于苯,不溶于水。
Boiling Point411.8°C at 760 mmHg

别名和识别编码

Chemical Name3-Nitrophthalic anhydride
CAS Number641-70-3
Alfabeta NameNITROPHTHALICANHYDRIDE 3-
MDL NumberMFCD00005921
Synonym 3-Nitrophthalic anhydride {LY} 3-Nitrophthalic anhydride {} {LY} 3-Nitrophthalic anhydride {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Nitrophthalic anhydride {} {} {} {} {} {} {} {} {} {}
EC Number211-373-6
Beilstein Registry Number179963
PubChem Substance ID87573606
Chemical Name Translation3-硝基邻苯二甲酸酐
Reaxys-RN179963
InChIKeyROFZMKDROVBLNY-UHFFFAOYSA-N
LabNetwork Molecule IDLN00173948
InChIInChI=1S/C8H3NO5/c10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7/h1-3H
Canonical SMILESO=C1OC(C2=C1C=CC=C2[N+]([O-])=O)=O
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分类

  • {SNA} Anhydride Monomers, Materials Science, Monomers, Polymer Science
  • {SA} Building Blocks, Carbonyl Compounds, Carboxylic Acid Anhydrides, Chemical Synthesis, Organic Building Blocks
  • {SNA} Anhydride Monomers, Monomers, Polymer Science, 材料科学
  • Amines
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; carbo-anhydride; 1fragment
  • {SNA} Building Blocks, Carbonyl Compounds, Carboxylic Acid Anhydrides, Chemical Synthesis, Organic Building Blocks
  • Intermediates
  • Aromatics

产品应用

  • An intermediate for the synthesis of a benzimidazole PARP inhibitor I (succinate salt) (ABT-472).

相关文献及参考

  • Has been used as an N-blocking group for amino acids in solid-phase peptide synthesis, providing an acidic 'handle' allowing separation by ion-exchange chromatography: Angew. Chem. Int. Ed., 8, 764 (1969). See Appendix 6.
  • Short: EINECS
  • Short: III/35E
  • Denny, W., et al.: J. Med. Chem., 33, 814 (1990),

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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
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+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Storage condition 2-8°C {LY} 2-8°C Moisture Sensitive Store at RT. {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Codes Xi

其他信息

  • 图谱信息:3-硝基邻苯二甲酸酐(641-70-3)核磁图( 1 HNMR) 3-硝基邻苯二甲酸酐(641-70-3)Raman光谱 3-硝基邻苯二甲酸酐(641-70-3)核磁图( 13 CNMR)
  • Acros Organics:3-硝基邻苯二甲酸酐 3-Nitrophthalic anhydride, 97%(641-70-3)
  • 3-硝基邻苯二甲酸酐价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0245 3-硝基邻苯二甲酸酐 3-Nitrophthalic Anhydride 25G 1100元 2014/06/02 N0245 3-硝基邻苯二甲酸酐 3-Nitrophthalic Anhydride 250G 6710元 2010/06/21 168990250 3-硝基邻苯二甲酸酐 3-Nitrophthalic anhydride 97% 25 GR 1496元
  • 方法一:由3-硝基邻苯二甲酸与乙酐共热而得。
  • MOL 文件:641-70-3.mol
  • Sigma Aldrich:641-70-3(sigmaaldrich)
  • Alfa Aesar:3-硝基邻苯二甲酸酐,97% 3-Nitrophthalic anhydride, 97%(641-70-3)
  • 上游原料:3-硝基邻苯二甲酸
  • 用途一:用于有机合成、颜料中间体
  • F:10-21
  • 用途二:用于有机合成及醇类的测定。
  • MSDS 信息:3-Nitrophthalic anhydride(641-70-3).msds
  • 敏感性:Moisture Sensitive
  • TCI Shanghai:3-硝基邻苯二甲酸酐 3-Nitrophthalic Anhydride,>;97.0%(T)(641-70-3)
  • 海关编码:29173980

系列性分类


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