3-Pyridylisothiocyanate 3-吡啶基异硫氰酸酯

CAS 17452-27-6 MFCD00052351

化学结构图

17452-27-6
SMILES: S=C=NC1=CN=CC=C1

化学属性

Mol. FormulaC6H4N2S
Mol. Weight136
Boiling Point231-233
Melting PointBP: 118 @ 20mm Hg (°C)
Density1.22
Refractive index1.6630 to 1.6670

别名和识别编码

Chemical Name3-Pyridylisothiocyanate
CAS Number17452-27-6
Alfabeta NameISOTHIOCYANATOPYRIDINE 3-
MDL NumberMFCD00052351
PubChem Substance ID354333297
Synonym 3-吡啶基异硫氰酸盐
Chemical Name Translation3-吡啶基异硫氰酸酯
Beilstein Registry Number109640
Reaxys-RN109640
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分类

  • {SNA} Amines, Amides and Derivatives, Building Blocks, C6, Chemical Synthesis, Derivatization Reagents, Derivatization Reagents HPLC, Fluorescence, HPLC Derivatization Reagents, by Application, Heterocyclic Building Blocks, Primary Amines, Pyridines, 分析/色谱,

安全信息

Warnings IRRITANT
WGK Germany3
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+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302+H332
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Signal word Danger
GHS Symbol
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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；
  • 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard Codes C
Risk Statements
  • R34 Causes burns 会导致灼伤
Storage condition 0-10°C

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
1
H-bond Donors
0
LogP
1

系列性分类

  1. C6 - Pyridines

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