2,6-Dicyanotoluene 2,6-二氰基甲苯

CAS 2317-22-8 MFCD00012285

化学结构图

2317-22-8
SMILES: Cc1c(C#N)cccc1C#N

化学属性

Mol. FormulaC9H6N2
Mol. Weight142.16
Melting Point135-137 °C
Boiling Point125-130 °C at 2 mmHg

别名和识别编码

Chemical Name2,6-Dicyanotoluene
CAS Number2317-22-8
Alfabeta NameMETHYLISOPHTHALONITRILE 2-
MDL NumberMFCD00012285
Synonym 2-Methylisophthalonitrile {LY} 2-Methylisophthalonitrile {} {LY} 2-Methylisophthalonitrile {} {} {LY} 2-Methylisophthalonitrile {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylisophthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID588396
Chemical Name Translation2,6-二氰基甲苯
LabNetwork Molecule IDLN00148085
InChIInChI=1S/C9H6N2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,1H3
Canonical SMILESCC1=C(C=CC=C1C#N)C#N
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分类

  • {KO} Nitriles
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • 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。
  • P305+P351+P338
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H302+H312+H332
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
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 Wear suitable protective clothing 穿戴适当的防护服；
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
  • 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
Storage condition

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 Donors
0
H-bond Acceptors
2
Rotatable Bonds
0
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles

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