3-Indoleacetonitrile 吲哚-3-乙腈

CAS 771-51-7 MFCD00005628

化学结构图

771-51-7
SMILES: N#CCc1c[nH]c2ccccc12

化学属性

Mol. FormulaC10H8N2
Mol. Weight156.18
Boiling Point157-160°C at 760 mmHg
Melting Point33-36°C
Flash Point112°C
TSCAYes
Appearance 类白色结晶。熔点35-37℃,沸点156-160℃(27mmHg)。
Refractive index1.6085-1.6105

别名和识别编码

Chemical NameIndole-3-acetonitrile
MDL NumberMFCD00005628
CAS Number771-51-7
Synonym 3-Indoleacetonitrile {LY} 3-Indoleacetonitrile indole-3-acetonitrile {} {LY} 3-Indoleacetonitrile {} {} {LY} 3-Indoleacetonitrile {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {} {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Indoleacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Indoleacetonitrile
PubChem Substance ID351795
EC Number212-232-1
Beilstein Registry Number125488
Alfabeta NameINDOLYLACETONITRILE H213()----
Chemical Name Translation吲哚-3-乙腈
Reaxys-RN125488
Wiswesser Line NotationT56 BMJ D1CN
InChIKeyDMCPFOBLJMLSNX-UHFFFAOYSA-N
LabNetwork Molecule IDLN00185652
InChIInChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
Canonical SMILESN#CCC1=CNC2=C1C=CC=C2
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分类

  • {SNA} Building Blocks, C10, Chemical Synthesis, Heterocyclic Building Blocks, Indoles

相关文献及参考

  • Beilstein: 22,V,3,74

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311+H331
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSAM0700000
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。
  • 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+P310+P330
  • P301+P312
  • P301+P316
  • P301+P317
  • P302+P352
  • P302+P352+P312+P361+P364
  • P304+P312
  • P304+P340
  • P304+P340+P311
  • 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。
  • P317
  • 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
  • P362+P364
  • 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.....
Signal word
Safety Statements
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Packing GroupIII
UN Number 3439 3276 UN3439
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Warnings IRRITANT
Hazard Codes Xn Xn,Xi
Hazard Class6.1
Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 255 mg/kg
TOXIC EFFECTS :
   Behavioral - coma
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 18,159,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

其他信息

  • 不溶于水,微溶于乙醇和甲苯。
  • 吲哚-3-乙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0024 3-吲哚乙腈 3-Indoleacetonitrile 25G 1730元 2014/06/02 I0024 3-吲哚乙腈 3-Indoleacetonitrile 1G 247元 2010/06/21 156650250 吲哚-3-乙腈 3-Indolylacetonitrile 98% 25 GR 2037元
  • Alfa Aesar:吲哚-3-乙腈,98% Indole-3-acetonitrile, 98%(771-51-7)
  • Acros Organics:3-吲哚乙腈 3-Indolylacetonitrile, 98%(771-51-7)
  • 用途一:用于有机合成。
  • MOL 文件:771-51-7.mol
  • MSDS 信息:3-Indoleacetonitrile(771-51-7).msds
  • Sigma Aldrich:771-51-7(sigmaaldrich)
  • TCI Shanghai:3-吲哚乙腈 3-Indoleacetonitrile,>;98.0%(GC)(771-51-7)
  • Hazard Note:Irritant
  • 海关编码:29339990
  • 图谱信息:吲哚-3-乙腈(771-51-7)质谱(MS) 吲哚-3-乙腈(771-51-7)红外图谱(IR1) 吲哚-3-乙腈(771-51-7)核磁图( 13 CNMR) 吲哚-3-乙腈(771-51-7)核磁图( 1 HNMR)

系列性分类


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