2-Chloro-6-Methylbenzo[d]thiazole 2-氯-6-甲基苯并噻唑

CAS 3507-26-4 MFCD04448821

化学结构图

3507-26-4
SMILES: Cc1ccc2nc(Cl)sc2c1

化学属性

Mol. FormulaC8H6ClNS
Mol. Weight183.65794
Melting Point44-49°C
Flash Point110 ºC
Density
Boiling Point152 °C at 15 mmHg

别名和识别编码

Chemical Name2-Chloro-6-Methylbenzo[d]thiazole
CAS Number3507-26-4
Alfabeta NameCHLOROMETHYLBENZOTHIAZOLE 2613-----,
MDL NumberMFCD04448821
PubChem Substance ID354333319
Synonym 2-Chloro-6-methyl-benzothiazole {LY} 2-Chloro-6-methyl-benzothiazole {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methyl-benzothiazole {} {} {} {
Chemical Name Translation2-氯-6-甲基苯并噻唑
EC Number
Beilstein Registry Number
Reaxys-RN122041
LabNetwork Molecule IDLN00004242
InChIInChI=1S/C8H6ClNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
Canonical SMILESClC(S1)=NC2=C1C=C(C)C=C2
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分类

  • {KO} ReacChlorides
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Thiazoles

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P305 IF IN EYES: 如果进入眼睛
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi,Xn 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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36 Irritating to eyes 刺激眼睛
UN Number
RTECS
Packing Group
Storage condition -20°C {LY} -20°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°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
1
Rotatable Bonds
0
H-bond Donors
0
LogP
3

其他信息

  • Hazard Note:Irritant
  • Sigma Aldrich:3507-26-4(sigmaaldrich)
  • MOL 文件:3507-26-4.mol

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. C8 to C9 - Thiazoles
  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. Benzothiazoles 苯并噻唑

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