6-溴-2-氯苯并噻唑 6-溴-2-氯苯并噻唑

CAS 80945-86-4 MFCD04971822

化学结构图

80945-86-4
SMILES: ClC1=NC2C=CC(Br)=CC=2S1

化学属性

Mol. FormulaC7H3BrClNS
Mol. Weight249
Melting Point99-103
Boiling Point157°C/18mmHg(lit.)

别名和识别编码

Chemical Name6-溴-2-氯苯并噻唑
CAS Number80945-86-4
Alfabeta NameBROMOCHLOROBENZOTHIAZOLE 6213-----,
MDL NumberMFCD04971822
PubChem Substance ID253662226
Chemical Name Translation6-溴-2-氯苯并噻唑
Synonym 6-​Bromo-​2-​chlorobenzothiazole 6-溴-2-氯苯并噻唑
LabNetwork Molecule IDLN00149687
Reaxys-RN127762
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分类

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

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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P301+P310
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Danger
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
UN Number 2811
Hazard Codes 6.1
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
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Packing GroupIII

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

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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