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-Trimethoxy
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°
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


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