3-Chloro-6-Nitro-1H-Indazole 3-氯-6-硝基-1H-吲唑

CAS 50593-68-5 MFCD00010741

化学结构图

50593-68-5
SMILES: [O-][N+](=O)C1=CC2NN=C(Cl)C=2C=C1

化学属性

Mol. FormulaC7H4ClN3O2
Mol. Weight198
Melting Point200
Density1.422

别名和识别编码

Chemical Name3-Chloro-6-Nitro-1H-Indazole
CAS Number50593-68-5
Alfabeta NameCHLORONITROINDAZOLE H361-----
MDL NumberMFCD00010741
EC Number250-023-7
Beilstein Registry Number0013651
Chemical Name Translation3-氯-6-硝基-1H-吲唑
Synonym 3-Chloro-6-nitroindazole
Wiswesser Line NotationT56 BMNJ DG HNW
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分类

  • {KO} Nitros
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
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
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
RTECSNK7900000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 42,379,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#02166

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 Donors
1
H-bond Acceptors
3
Rotatable Bonds
0
LogP
1

系列性分类


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