2,3-Dimethoxybenzonitrile 2,3-二甲氧基苯甲腈
CAS 5653-62-3 MFCD00001784
化学结构图
SMILES: COc1cccc(C#N)c1OC
化学属性
| Mol. Formula | C9H9NO2 |
|---|---|
| Mol. Weight | 163.18 |
| Melting Point | 43-46°C |
| Flash Point | 113°C |
| TSCA | No |
| Boiling Point | 264.5°C at 760 mmHg |
| Density | 1.12 |
| Appearance | 白色晶体。熔点68-70℃。 |
别名和识别编码
| Chemical Name | 2,3-Dimethoxybenzonitrile |
|---|---|
| MDL Number | MFCD00001784 |
| CAS Number | 5653-62-3 |
| EC Number | 227-097-4 |
| Synonym | 2,3-Dimethoxybenzonitrile {LY} 2,3-Dimethoxybenzonitrile {} {LY} 2,3-Dimethoxybenzonitrile {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethoxybenzonitrile {} {} {} {} |
| Beilstein Registry Number | 2719631 |
| Chemical Name Translation | 2,3-二甲氧基苯甲腈 |
| Wiswesser Line Notation | NCR BO1 CO1 |
| InChIKey | LBXGBNHUNHWYRM-UHFFFAOYSA-N |
| PubChem Substance ID | 21862 |
| LabNetwork Molecule ID | LN01317375 |
| InChI | InChI=1S/C9H9NO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,1-2H3 |
| Canonical SMILES | N#CC1=CC=CC(OC)=C1OC |
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分类
- {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
安全信息
GHS Symbol
- 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+P312
- 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。
- P317
- P319
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P322 Specific measures (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
- P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H302 Harmful if swallowed 吞食有害
- H302+H312+H332
- H312 Harmful in contact with skin 皮肤接触有害
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H332 Harmful if inhaled 吸入有害
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
- 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；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- 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
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04768
其他信息
- MOL 文件:5653-62-3.mol
- MOL 文件:2024-83-1.mol
- 2,3-二甲氧基苯甲腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 B20942 2,3-二甲氧基苯甲腈, 98% 2,3-Dimethoxybenzonitrile, 98% 50g 2940元 2010/05/25 B20942 2,3-二甲氧基苯甲腈, 98% 2,3-Dimethoxybenzonitrile, 98% 10g 692元
- 3，4-二甲氧基苄腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2870 3,4-二甲氧基苯甲腈 3,4-Dimethoxybenzonitrile 25G 701元 2010/06/21 115470250 3，4-二甲氧基苄腈 3,4-Dimethoxybenzonitrile 97% 25 GR 612元 2010/05/25 A12521 3,4-二甲氧基苯甲腈, 98+% 3,4-Dimethoxybenzonitrile, 98+% 25g 528元
- 图谱信息:3，4-二甲氧基苄腈(2024-83-1)核磁图( 1 HNMR) 3，4-二甲氧基苄腈(2024-83-1)核磁图( 13 CNMR) 3，4-二甲氧基苄腈(2024-83-1)红外图谱(IR2) 3，4-二甲氧基苄腈(2024-83-1)红外图谱(IR1) 3，4-二甲氧基苄腈(2024-83-1)Raman光谱 3，4-二甲氧基苄腈(2024-83-1)质谱(MS)
- Alfa Aesar:2,3-二甲氧基苯甲腈,98% 2,3-Dimethoxybenzonitrile, 98%(5653-62-3)
- Sigma Aldrich:5653-62-3(sigmaaldrich)
- 用途一:有机合成中间体。
- TCI Shanghai:3,4-二甲氧基苯甲腈 3,4-Dimethoxybenzonitrile,>;98.0%(GC)(2024-83-1)
- Acros Organics:3，4-二甲氧基苄腈 3,4-Dimethoxybenzonitrile, 97%(2024-83-1)
- Sigma Aldrich:2024-83-1(sigmaaldrich)
- 上游原料:盐酸羟胺 --> 3,4-二甲氧基苯甲醛肟
- Alfa Aesar:3,4-二甲氧基苯甲腈,98+% 3,4-Dimethoxybenzonitrile, 98+%(2024-83-1)
- 方法一:由3,4-二甲氧基苯甲醛肟和乙酐反应得到。3,4-二甲氧基苯甲醛肟可由3,4-二甲氧基苯甲醛和盐酸羟胺反应得到。
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