5-Methoxyindole-3-Acetic Acid 2-(5-methoxy-1H-indol-3-yl)acetic acid

CAS 3471-31-6 MFCD00005638

化学结构图

3471-31-6
SMILES: COc1ccc2[nH]cc(CC(=O)O)c2c1

化学属性

Mol. FormulaC11H11NO3
Mol. Weight205.21
Melting Point145-148°C
TSCANo
Solubility不溶
Appearance crystalline
Boiling Point343.88 °C at 760 mmHg

别名和识别编码

Chemical Name5-Methoxyindole-3-Acetic Acid
CAS Number3471-31-6
Alfabeta NameMETHOXYINDOLEACETICACID 53---
MDL NumberMFCD00005638
Synonym 5-Methoxyindole-3-acetic acid {LY} 5-Methoxyindole-3-acetic acid {} {LY} 5-Methoxyindole-3-acetic acid {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole-3-acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxyindole-3-ace
PubChem Substance ID18986
Beilstein Registry Number187161
EC Number222-438-3
Reaxys-RN187161
Chemical Name Translation2-(5-methoxy-1H-indol-3-yl)acetic acid
InChIKeyCOCNDHOPIHDTHK-UHFFFAOYSA-N
InChIInChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
LabNetwork Molecule IDLN00173434
Canonical SMILESO=C(O)CC1=CNC2=C1C=C(OC)C=C2
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分类

  • {SNA} Building Blocks, C11, Chemical Synthesis, Heterocyclic Building Blocks, Indoles

相关文献及参考

  • [1]. KVEDER S, et al. The metabolism of melatonin (N-acetyl-5-methoxytryptamine) and 5-methoxytryptamine. J Biol Chem. 1961 Dec;236:3214-20.

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSNL3660500
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Signal word
Hazard statements
  • 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
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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。
  • 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+P312+P330
  • P302+P352
  • P302+P352+P312+P362+P364
  • P304+P312
  • P304+P340
  • P304+P340+P312
  • 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。
  • 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
  • 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
  • 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.....
GHS Symbol
Storage condition 2-8°C {LY} 2-8°C 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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4 gm/kg/13W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Brain and Coverings - tumors
REFERENCE :
   BEBMAE Byulleten' Eksperimental'noi Biologii i Meditsiny.  Bulletin of
   Experimental Biology and Medicine.  For English translation, see BEXBAN.
   (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 101,605,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
                          female 10-21 day(s) after conception
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Brain and Coverings - tumors
   Reproductive - Tumorigenic effects - transplacental tumorigenesis
REFERENCE :
   BEBMAE Byulleten' Eksperimental'noi Biologii i Meditsiny.  Bulletin of
   Experimental Biology and Medicine.  For English translation, see BEXBAN.
   (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 101,605,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 98 mg/kg
TOXIC EFFECTS :
   Behavioral - excitement
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 1,515,1976

其他信息

  • 图谱信息:5-甲氧基吲哚-3-乙酸(3471-31-6)质谱(MS) 5-甲氧基吲哚-3-乙酸(3471-31-6)核磁图( 13 CNMR) 5-甲氧基吲哚-3-乙酸(3471-31-6)红外图谱(IR2) 5-甲氧基吲哚-3-乙酸(3471-31-6)红外图谱(IR1) 5-甲氧基吲哚-3-乙酸(3471-31-6)核磁图( 1 HNMR)
  • Sigma Aldrich:3471-31-6(sigmaaldrich)
  • Acros Organics:5-甲氧基吲哚-3-乙酸 5-Methoxyindole-3-acetic acid, 99%(3471-31-6)
  • MOL 文件:3471-31-6.mol
  • TCI Shanghai:5-甲氧基吲哚-3-乙酸 5-Methoxyindole-3-acetic Acid,>;97.0%(T)(3471-31-6)
  • MSDS 信息:5-Methoxyindole-3-acetic acid(3471-31-6).msds
  • Alfa Aesar:5-甲氧基吲哚-3-乙酸,98+% 5-Methoxyindole-3-acetic acid, 98+%(3471-31-6)
  • 5-甲氧基吲哚-3-乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1303 5-甲氧基吲哚-3-乙酸 5-Methoxyindole-3-acetic Acid 5G 4570元 2014/06/02 M1303 5-甲氧基吲哚-3-乙酸 5-Methoxyindole-3-acetic Acid 1G 1250元 2010/06/21 125880010 5-甲氧基吲哚-3-乙酸 5-Methoxyindole-3-acetic acid 99% 1 GR 1611元
  • color:light yellow to tan

系列性分类


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