2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole 2,5-双(4-硝基苯基)-1,3,4-二唑
CAS 1044-49-1 MFCD00173659
化学结构图
SMILES: O=[N+]([O-])c1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
化学属性
| Mol. Formula | C14H8N4O5 |
|---|---|
| Mol. Weight | 312.24 |
| Melting Point | 310-312 °C |
| TSCA | No |
| Boiling Point | 537.7±60.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 2,5-Bis(4-Nitrophenyl)-1,3,4-Oxadiazole |
|---|---|
| MDL Number | MFCD00173659 |
| CAS Number | 1044-49-1 |
| Synonym | 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {} {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {} {} {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole {} {} {} {} {} {} {} {} {} {} {} {} |
| Reaxys-RN | 329614 |
| Chemical Name Translation | 2,5-双(4-硝基苯基)-1,3,4-二唑 |
| InChIKey | NXVIYWNQRSLRGX-UHFFFAOYSA-N |
| Wiswesser Line Notation | T5NN DOJ CR DNW& ER DNW |
| Beilstein Registry Number | 0329614 |
| LabNetwork Molecule ID | LN01740681 |
| PubChem Substance ID | 13971 |
| InChI | InChI=1S/C14H8N4O5/c19-17(20)11-5-1-9(2-6-11)13-15-16-14(23-13)10-3-7-12(8-4-10)18(21)22/h1-8H |
| Canonical SMILES | C1=C(C=CC(=C1)[N+](=O)[O-])C2=NN=C(C3=CC=C(C=C3)[N+](=O)[O-])O2 |
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安全信息
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- H242 Heating may cause a fire 加热可能会引起火灾
- H302 Harmful if swallowed 吞食有害
- 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
- 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。
- P220 Keep/Store away from clothing/…/combustible materials. 保持远离/贮存远离服装/....../可燃材料。
- P234 Keep only in original container. 只保留在原来的容器中。
- 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。
- P264+P265
- 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。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- 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+P352
- P304+P340
- P305+P351+P338
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P319
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P330 Rinse mouth. 漱口
- P332+P313
- P332+P317
- P337+P313
- P337+P317
- 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
- P362+P364
- P403+P233
- P403+P235
- P405 Store locked up. 上锁保管。
- P420 Store away from other materials. 远离其他材料。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 39,858,1984
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