2-Chloro-6-nitrobenzothiazole 2-氯-6-硝基苯并噻唑

CAS 2407-11-6 MFCD00022852

化学结构图

2407-11-6
SMILES: O=[N+]([O-])c1ccc2nc(Cl)sc2c1

化学属性

Mol. FormulaC7H3ClN2O2S
Mol. Weight214.63
Melting Point192-195°C
Density
Boiling Point348.1°C at 760 mmHg

别名和识别编码

Chemical Name2-Chloro-6-nitrobenzothiazole
CAS Number2407-11-6
Alfabeta NameCHLORONITROBENZOTHIAZOLE 2613-----,
MDL NumberMFCD00022852
EC Number219-302-0
Synonym 2-Chloro-6-nitrobenzo[d]thiazole {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrobenzo[d]thiazole
Chemical Name Translation2-氯-6-硝基苯并噻唑
InChIKeyKUCSJGBXJBQHNI-UHFFFAOYSA-N
PubChem Substance ID75476
Beilstein Registry Number
LabNetwork Molecule IDLN00149133
InChIInChI=1S/C7H3ClN2O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H
Canonical SMILESClC1=NC2=C(S1)C=C([N+]([O-])=O)C=C2
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Thiazoles
  • {KO} ReacChlorides
  • {KO} Nitros

安全信息

Warnings IRRITANT
Hazard Codes Xi
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；
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P302+P352
  • P304+P340
  • P305 IF IN EYES: 如果进入眼睛
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • 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
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Warning
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
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
3
Rotatable Bonds
0
H-bond Donors
0
LogP
2

其他信息

  • MOL 文件:2407-11-6.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. Benzothiazoles 苯并噻唑

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