Indole-3-carboxaldehyde 吲哚-3-甲醛

CAS 487-89-8 MFCD00005622

化学结构图

487-89-8
SMILES: O=Cc1c[nH]c2ccccc12

化学属性

Mol. FormulaC9H7NO
Mol. Weight145.16
Melting Point193-198°C
Density1.278
Flash Point240°C
TSCAYes
Appearance 具芳香醛的一般性质。
pH:A
Boiling Point264.27 °C at 760 mmHg

别名和识别编码

Chemical NameIndole-3-carboxaldehyde
CAS Number487-89-8
Alfabeta NameINDOLECARBALDEHYDE H13---
MDL NumberMFCD00005622
Synonym Indole-3-carboxaldehyde {LY} Indole-3-carboxaldehyde {} {LY} Indole-3-carboxaldehyde {} {} {LY} Indole-3-carboxaldehyde {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Indole-3-carboxaldehyde {} {} {} {} {} {} {} {} {
PubChem Substance ID10256
Beilstein Registry Number114117
EC Number207-665-8
Reaxys-RN114117
Chemical Name Translation吲哚-3-甲醛
Wiswesser Line NotationT56 BMJ DVH
LabNetwork Molecule IDLN00003997
InChIInChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
Canonical SMILESO=CC1=CNC2=C1C=CC=C2
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分类

  • {SNA} Aldehydes, Building Blocks, C7 to C9, C9, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks
  • Aldehydes, Building Blocks, C7 to C9, C9, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; aldehyde; 1fragment

相关文献及参考

  • 4. Edayadulla, N.; Ramesh, P., Synthesis and physiological evaluation of new N-nitroso-2,6-dicarbethoxy-3,5-diaryltetrahydro-1,4-thiazine-1,1-dioxides Med. Chem. Res. , no pp. given, (2011)
  • 9. Wu, S.; et al., Analogues and Derivatives of Oncrasin-1, a Novel Inhibitor of the C-Terminal Domain of RNA Polymerase II and Their Antitumor Activities J. Med. Chem. 54 , 2668, (2011) 摘要
  • Beilstein:21,313
  • 10. Upadhyay, K.; et al., Synthesis and biological evaluation of 4-styrylcoumarin derivatives as inhibitors of TNF-a and IL-6 with anti-tubercular acti

安全信息

Warnings IRRITANT, KEEP COLD, STORED UNDER ARGON
WGK Germany3
RTECSNL5993600
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
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;
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。
  • 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。
  • 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+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive Keep Cold {} {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 nitro
Hazard Codes Xi
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - smooth muscle relaxant (mechanism undefined,
   spasmolytic)
   Behavioral - anticonvulsant
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 6,33,1972

其他信息

  • Acros Organics:吲哚-3-甲醛 Indole-3-carboxaldehyde, 97%(487-89-8)
  • 存储注意事项:空气敏感;氮气保护
  • MOL 文件:487-89-8.mol
  • MSDS 信息:3-Indolealdehyde(487-89-8).msds
  • Hazard Note:Irritant/Keep Cold
  • 敏感性:Air Sensitive
  • 图谱信息:3-吲哚甲醛(487-89-8)红外图谱(IR2) 3-吲哚甲醛(487-89-8)核磁图( 13 CNMR) 3-吲哚甲醛(487-89-8)红外图谱(IR1) 3-吲哚甲醛(487-89-8)质谱(MS)
  • 3-吲哚甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010138 吲哚-3-甲醛 50g 500元 2011/04/16 I0027 吲哚-3-甲醛 Indole-3-carboxaldehyde 25G 790元 2011/04/16 I0027 吲哚-3-甲醛 Indole-3-carboxaldehyde 5G 274元
  • F:9-23
  • Alfa Aesar:吲哚-3-甲醛,99% Indole-3-carboxaldehyde, 99%(487-89-8)
  • TCI Shanghai:吲哚-3-甲醛 Indole-3-carboxaldehyde,>;97.0%(T)(487-89-8)
  • Sigma Aldrich:487-89-8(sigmaaldrich)
  • 海关编码:29339990
  • 不溶于水
  • 下游产品:3-氰基吲哚
  • 检测方法:HPLC,NMR
  • 用途一:用于制取吲哚衍生物

系列性分类


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