5-Chlorobenzo[D]Oxazole-2(3H)-Thione 5-氯-2-巯基苯并恶唑

CAS 22876-19-3 MFCD00175241

化学结构图

22876-19-3
SMILES: SC1=NC2C=C(Cl)C=CC=2O1

化学属性

Mol. FormulaC7H4ClNOS
Mol. Weight185.63
Melting Point280-285 °C (lit.)
TSCANo

别名和识别编码

Chemical Name5-Chlorobenzo[D]Oxazole-2(3H)-Thione
CAS Number22876-19-3
Alfabeta NameCHLOROBENZOXAZOLETHIOL 5132-----,
MDL NumberMFCD00175241
PubChem Substance ID24878329
Synonym 5-Chloro-2-mercaptobenzoxazole 5-氯-2-巯基苯并噁唑 5-Chloro-2-mercaptobenzoxazole; 5-Chloro-1,3-benzoxazole-2-thiol
Wiswesser Line NotationT56 BN DOJ CSH HG
Chemical Name Translation5-氯-2-巯基苯并恶唑
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分类

  • {SA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Oxazoles
  • Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Oxazoles
  • {KO} Thiols

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。
  • P305+P351+P338
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xn
RTECSDM4760000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
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
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 120 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDCHAG Medicinal Chemistry: A Series of Monographs.  (Academic Press, Inc.,
   1 E. First St., Duluth, MN 55802)  V.1-    1963-  Volume(issue)/page/year:
   4(1),337,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDCHAG Medicinal Chemistry: A Series of Monographs.  (Academic Press, Inc.,
   1 E. First St., Duluth, MN 55802)  V.1-    1963-  Volume(issue)/page/year:
   4(1),339,1964

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
0
H-bond Donors
1
LogP
2

系列性分类


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