5-Methoxyindole 5-甲氧基吲哚

CAS 1006-94-6 MFCD00005674

化学结构图

1006-94-6
SMILES: COc1ccc2[nH]ccc2c1

化学属性

Mol. FormulaC9H9NO
Mol. Weight147.17
Melting Point52-55°C
Density1.169
TSCANo
Boiling Point176-178°C at 760 mmHg
Solubility不溶
Stability对光线敏感
Flash Point176-178°C/17mm
Appearance 类白色（无色或浅米黄色）晶体，熔点56~58℃,沸点176-178℃。
pH:A

别名和识别编码

Chemical Name5-Methoxyindole
CAS Number1006-94-6
Alfabeta NameMETHOXYINDOLE 5-
MDL NumberMFCD00005674
Synonym 5-Methoxyindole {LY} 5-Methoxyindole {} {LY} 5-Methoxyindole {} {} {LY} 5-Methoxyindole {} {} {} {LY} 5-Methoxyindole {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole {} {} {} {} {} {} {}
EC Number213-745-3
Beilstein Registry Number21(2)44
PubChem Substance ID13872
Reaxys-RN116722
Chemical Name Translation5-甲氧基吲哚
InChIKeyDWAQDRSOVMLGRQ-UHFFFAOYSA-N
Wiswesser Line NotationT56 BMJ GO1
LabNetwork Molecule IDLN00117785
InChIInChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
Canonical SMILESCOC1=CC2=C(NC=C2)C=C1
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分类

  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • Indole Derivatives
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; ether; 1fragment

相关文献及参考

  • Beilstein:21(2)44
  • Short: III/35D3
  • Short: III/35B

安全信息

Warnings IRRITANT, KEEP COLD, LIGHT SENSITIVE
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
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
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。
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSNL9500000
Storage condition 2-8°C {LY} 2-8°C Light Sensitive Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 370 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 9,453,1974

其他信息

  • 5-甲氧基吲哚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0731 5-甲氧基吲哚 5-Methoxyindole 25G 4270元 2014/06/02 M0731 5-甲氧基吲哚 5-Methoxyindole 1G 457元 2014/06/02 M0731 5-甲氧基吲哚 5-Methoxyindole 5G 1180元
  • MOL 文件:3484-35-3.mol
  • MSDS 信息:Indol-5-yl methyl ether(1006-94-6).msds
  • F:8
  • MOL 文件:1006-94-6.mol
  • 用途一:用作医药中间体
  • Hazard Note:Irritant
  • Acros Organics:5-甲氧基吲哚 5-Methoxyindole, 99%(1006-94-6)
  • Alfa Aesar:5-甲氧基吲哚,99% 5-Methoxyindole, 99%(1006-94-6)
  • Sigma Aldrich:1006-94-6(sigmaaldrich)
  • 下游产品:DL-5-甲氧基色氨酸 --> 5-甲氧基芦竹碱
  • TCI Shanghai:5-甲氧基吲哚 5-Methoxyindole,>;99.0%(GC)(1006-94-6)
  • 图谱信息:5-甲氧基吲哚(1006-94-6)核磁图( 13 CNMR) 5-甲氧基吲哚(1006-94-6)质谱(MS) 5-甲氧基吲哚(1006-94-6)红外图谱(IR1) 5-甲氧基吲哚(1006-94-6)红外图谱(IR2) 5-甲氧基吲哚(1006-94-6)红外图谱(IR3)
  • 检测方法:GC,NMR
  • 敏感性:Light Sensitive

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indazoles 吲唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indolines 吲哚啉
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  5. C7 to C9 - Indoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Indoles