1,3-Diphenylurea 双苯基脲
CAS 102-07-8 MFCD00003017
化学结构图
SMILES: O=C(Nc1ccccc1)NC1CCCCC1
化学属性
| Mol. Formula | C13H12N2O |
|---|---|
| Mol. Weight | 212.25 |
| Density | 1.239 |
| TSCA | Yes |
| Boiling Point | 262 °C at 760 mmHg |
| Melting Point | 239-241°C |
| Flash Point | 260°C |
| Appearance | 无色棱状体结晶。熔点239-240℃，沸点260℃，相对密度1.239。溶于冰醋酸、乙醚、微溶于吡啶，极微溶于水、醇、丙酮和氯仿。 |
别名和识别编码
| Chemical Name | 1,3-Diphenylurea |
|---|---|
| MDL Number | MFCD00003017 |
| CAS Number | 102-07-8 |
| Synonym | 1,3-Diphenylurea {LY} 1,3-Diphenylurea {} {LY} 1,3-Diphenylurea {} {} {LY} 1,3-Diphenylurea {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Diphenylurea {} {} {} {} {} {} {} {} {} |
| EC Number | 203-003-7 |
| Merck Number | 1785 |
| Beilstein Registry Number | 782650 |
| PubChem Substance ID | 87565239 |
| Reaxys-RN | 782650 |
| Chemical Name Translation | 双苯基脲 |
| LabNetwork Molecule ID | LN00222704 |
| InChI | InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) |
| Canonical SMILES | O=C(NC1=CC=CC=C1)NC2=CC=CC=C2 |
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分类
- {SNA} Building Blocks, Carbonyl Compounds, Chemical Synthesis, DIG-DY, Organic Building Blocks, Ureas, 生物活性小分子, 细胞生物学
- {SNA} Bioactive Small Molecules, Building Blocks, Carbonyl Compounds, Chemical Synthesis, DIG-DY, Organic Building Blocks, Ureas, 细胞生物学
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; urea; 1fragment
- {SNA} Building Blocks, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks, Ureas
- {SNA} Bioactive Small Molecules, Building Blocks, Carbonyl Compounds, Cell Biology, Chemical Synthesis,
产品应用
- 用作药物氨苯磺胺的中间体。
相关文献及参考
- Merck:14,1785
- Merck:14,1785 Beilstein:12,352
- {uni_ham
- Short: II/27B
- Reaction of diarylureas with alcohols and sulfuric acid provides a non-phosgene route to alkyl aryl carbamates: Chem. Ind. (London), 435 (1991). Further reaction with TMS chloride and triethylamine converts these to aryl isocyanates under mild conditions: Angew. Chem. Int. Ed., 7, 941 (1968).
- Short: III/5a
安全信息
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
GHS Symbol
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- 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
其他信息
- 双苯基脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0031 1,3-二苯基脲 1,3-Diphenylurea 500G 1710元 2014/06/02 C0031 1,3-二苯基脲 1,3-Diphenylurea 25G 260元 2010/05/25 A18720 N,N'-二苯基脲, 98% N,N'-Diphenylurea, 98% 25g 346元
- MOL 文件:102-07-8.mol
- 图谱信息:双苯基脲(102-07-8)核磁图( 1 HNMR) 双苯基脲(102-07-8)Raman光谱 双苯基脲(102-07-8)红外图谱(IR2) 双苯基脲(102-07-8)红外图谱(IR1) 双苯基脲(102-07-8)核磁图( 13 CNMR) 双苯基脲(102-07-8)质谱(MS)
- 急性毒性:口服-大鼠 LDL0: 500 毫克/公斤; 腹腔-小鼠 LD50: 200 毫克/公斤
- 类别:有毒物质
- 毒性分级:中毒
- 储运特性:库房低温通风干燥
- 溶于冰醋酸、乙醚、微溶于吡啶，极微溶于水、醇、丙酮和氯仿。
- 用途一:主要用作氨苯磺胺的中间体，其氯磺化后的产物，可作新诺明的主要原料
- 上游原料:二氯甲烷 --> 氨基苯 --> 异氰酸苯酯
- 灭火剂:水, 二氧化碳, 泡沫, 干粉
- Alfa Aesar:N,N'-二苯基脲,98% N,N'-Diphenylurea, 98%(102-07-8)
- Sigma Aldrich:102-07-8(sigmaaldrich)
- TCI Shanghai:1,3-二苯基脲 1,3-Diphenylurea,>;98.0%(T)(102-07-8)
- 可燃性危险特性:热分解排出有毒氮氧化物烟雾
- MSDS 信息:N,N'-Diphenylurea(102-07-8).msds
- 方法一:由苯胺与尿素缩合而得。
- 用途二:用作药物氨苯磺胺的中间体。
- 溶于冰醋酸，微溶于吡啶，极微溶于水、醇、丙酮和氯仿。
- 下游产品:尼卡巴嗪
