2-Chloro-6-Methoxybenzothiazole 2-氯-6-甲氧基苯并噻唑

CAS 2605-14-3 MFCD00671510

化学结构图

2605-14-3
SMILES: COc1ccc2nc(Cl)sc2c1

化学属性

Mol. FormulaC8H6ClNOS
Mol. Weight199.65
Melting Point54°C
Flash Point>110°C
TSCANo
Density1.422
Boiling Point293.5°C at 760 mmHg

别名和识别编码

Chemical Name2-Chloro-6-Methoxybenzothiazole
CAS Number2605-14-3
Alfabeta NameCHLOROMETHOXYBENZOTHIAZOLE 2613-----,
MDL NumberMFCD00671510
PubChem Substance ID273132
Synonym 2-Chloro-6-methoxybenzo[d]thiazole {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {} {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {} {} {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methoxybenzo[d]thiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-methoxybenz
EC Number250-023-7
Beilstein Registry Number131203
Reaxys-RN131203
Chemical Name Translation2-氯-6-甲氧基苯并噻唑
InChIInChI=1S/C8H6ClNOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3
LabNetwork Molecule IDLN00144267
Canonical SMILESCOC1=CC=C2N=C(Cl)SC2=C1
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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+P351+P338
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 Xn Xi,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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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
2
Rotatable Bonds
1
H-bond Donors
0
LogP
2

其他信息

  • Hazard Note:Irritant
  • TCI Shanghai:2-氯-6-甲氧基苯并噻唑 2-Chloro-6-methoxybenzothiazole,>;96.0%(GC)(2605-14-3)
  • Sigma Aldrich:2605-14-3(sigmaaldrich)
  • MOL 文件:2605-14-3.mol
  • 2-氯-6-甲氧基苯并噻唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1464 2-氯-6-甲氧基苯并噻唑 2-Chloro-6-methoxybenzothiazole 5G 2620元 2014/06/02 C1464 2-氯-6-甲氧基苯并噻唑 2-Chloro-6-methoxybenzothiazole 1G 787元

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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