1H-Indole-2-Carbonitrile 2-氰基-1H-吲哚

CAS 145015-15-2 MFCD03001277

化学结构图

145015-15-2
SMILES: OCC1=CN=C(Cl)S1

化学属性

Mol. FormulaC4H4ClNOS
Mol. Weight150
Boiling Point96°/0.2mm
Melting PointBP: 96 @ 0.2 mm Hg (°C)

别名和识别编码

Chemical Name1H-Indole-2-Carbonitrile
CAS Number145015-15-2
Alfabeta NameCHLOROTHIAZOLYLMETHANOL 2135()-----,
MDL NumberMFCD03001277
Synonym (2-Chloro-1,3-thiazol-5-yl)methanol
PubChem Substance ID329788607
Chemical Name Translation2-氰基-1H-吲哚
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分类

  • {KO} ReacChlorides
  • {KO} Alcohols
  • {SNA} Building Blocks, C3 to C7, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles

安全信息

Warnings IRRITANT, KEEP COLD
GHS Symbol
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。
  • 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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Danger
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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Hazard Codes Xn
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险

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
2
Rotatable Bonds
1
H-bond Donors
1
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazoles 噻唑
  5. C3 to C7 - Thiazoles

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