3,4,5-Trimethoxybenzaldehyde 3,4,5-三甲氧基苯甲醛

CAS 86-81-7 MFCD00003364

化学结构图

86-81-7
SMILES: COc1cc(C=O)cc(OC)c1OC

化学属性

Mol. FormulaC10H12O4
Mol. Weight196.20
Boiling Point311.4°C at 760 mmHg
Melting Point72-74°C
TSCAYes
Solubility略溶于水
Density1.133
Stability对空气敏感
Flash Point163-165°C/10mm
Appearance 白色至微黄色针状晶体。

别名和识别编码

Chemical Name3,4,5-Trimethoxybenzaldehyde
CAS Number86-81-7
Synonym 3,4,5-Trimethoxybenzaldehyde {LY} 3,4,5-Trimethoxybenzaldehyde {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} { {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number395163
PubChem Substance ID6858
EC Number201-701-6
MDL NumberMFCD00003364
Reaxys-RN395163
Alfabeta NameTRIMETHOXYBENZALDEHYDE 345-,,
Chemical Name Translation3,4,5-三甲氧基苯甲醛
LabNetwork Molecule IDLN00179906
InChIInChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
Canonical SMILESO=CC1=CC(OC)=C(OC)C(OC)=C1
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分类

  • Aldehydes, Building Blocks, C10-C12, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} Aldehydes, Building Blocks, C10-C12, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

产品应用

  • 用作磺胺增效剂、抗菌增效剂TMP的重要中间体。主要用于生产医药原料甲氧苄啶,三甲氧基苯甲酸,三甲氧基苯甲酸甲酯,3,4,5-三甲氧基肉桂，3,4,5-三甲氧基肉桂酸甲酯,3,4,5-三甲氧基肉桂酸乙酯,生产曲昔菲特。

相关文献及参考

  • Beilstein:8,391

安全信息

RTECSCU8462000
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
Hazard statements
  • 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
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。
  • 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。
  • 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+P312+P330
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Warnings IRRITANT
GHS Symbol
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
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 422 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

其他信息

  • Acros Organics:3,4,5-三甲氧基苯甲醛 3,4,5-Trimethoxybenzaldehyde, 99%(86-81-7)
  • 3,4,5-三甲氧基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0059 3,4,5-三甲氧基苯甲醛 3,4,5-Trimethoxybenzaldehyde 25G 368元 2014/06/02 T0059 3,4,5-三甲氧基苯甲醛 3,4,5-Trimethoxybenzaldehyde 500G 2760元 2010/06/21 139910250 3,4,5-三甲氧基苯甲醛 3,4,5-Trimethoxybenzaldehyde 99% 25 GR 270元
  • 海关编码:29124900
  • 上游原料:甲醇钠 --> 香兰素 --> 苯甲腈 --> 4-硝基甲苯 --> 对羟基苯甲醛 --> 单宁酸 --> 赤血盐
  • 用途三:用作磺胺增效剂、抗菌增效剂TMP的重要中间体。主要用于生产医药原料甲氧苄啶,三甲氧基苯甲酸,三甲氧基苯甲酸甲酯,3,4,5-三甲氧基肉桂，3,4,5-三甲氧基肉桂酸甲酯,3,4,5-三甲氧基肉桂酸乙酯,生产曲昔菲特。
  • 微溶于水，溶于乙醇、甲苯和丙酮。
  • 下游产品:3,4,5-三甲氧基苄胺 --> 芥子酸 --> 丁香醛 --> 3-(3,4,5-三甲氧基苯基)丙酸
  • 用途一:用于合成抗菌增效药甲氧苄氨嘧啶
  • Alfa Aesar:3,4,5-三甲氧基苯甲醛,98% 3,4,5-Trimethoxybenzaldehyde, 98%(86-81-7)
  • Hazard Note:Irritant
  • 图谱信息:3,4,5-三甲氧基苯甲醛(86-81-7)质谱(MS) 3,4,5-三甲氧基苯甲醛(86-81-7)红外图谱(IR2) 3,4,5-三甲氧基苯甲醛(86-81-7)核磁图( 13 CNMR) 3,4,5-三甲氧基苯甲醛(86-81-7)红外图谱(IR1) 3,4,5-三甲氧基苯甲醛(86-81-7)核磁图( 1 HNMR)
  • 方法一:1.由没食子酸（或单宁酸）经硫酸二甲酯甲基化、酯化，再用水合肼进行肼化反应，然后经赤血盐氧化制得。工业化生产的收率在70%以上。2.由香兰醛经溴化、水解、甲基化而得。3.以对硝基甲苯为原料，经氧化还原，再以亚硝酸钠重氮化、水解得对羟基苯甲醛，经溴化、二甲氧基化、甲基化而得。另外，由三甲氧基苯腈、对羟基苯甲醛也可以制备3,4,5－三甲氧基苯甲醛。
  • Sigma Aldrich:86-81-7(sigmaaldrich)
  • MSDS 信息:3,4,5-Trimethoxybenzaldehyde(86-81-7).msds
  • TCI Shanghai:3,4,5-三甲氧基苯甲醛 3,4,5-Trimethoxybenzaldehyde,>;98.0%(T)(86-81-7)
  • 用途二:用作磺胺增效剂、抗菌增效剂TMP的重要中间体。
  • MOL 文件:86-81-7.mol
  • 敏感性:Air Sensitive

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C10-C12 - Aldehydes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic aldehyde<including acetal,hemiacetal>
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C10 to C21
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes
  6. C1 to C6
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Monomers
  4. Amine Monomers
  5. Tertiary Amines

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