5-(Trifluoromethyl)-1H-indazol-3-amine 3-氨基-5-(三氟甲基)-1H-吲唑

CAS 2250-53-5 MFCD01719740

化学结构图

2250-53-5
SMILES: Nc1n[nH]c2ccc(C(F)(F)F)cc12

化学属性

Mol. FormulaC8H6F3N3
Mol. Weight201.15
Melting Point114-118 °C
TSCANo
Boiling Point358.5±37.0 °C at 760 mmHg

别名和识别编码

Chemical Name5-(Trifluoromethyl)-1H-Indazol-3-Amine
CAS Number2250-53-5
Alfabeta NameTRIFLUOROMETHYLINDAZOLAMINE H513()-----
MDL NumberMFCD01719740
Synonym 5-(Trifluoromethyl)-1H-indazol-3-amine {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)-1H-indazol-3-amine {} {} {} {} {} {} {} {} {} {
Chemical Name Translation3-氨基-5-(三氟甲基)-1H-吲唑
Beilstein Registry Number0959070
InChIKeyZXZTZRVCWTWKCH-UHFFFAOYSA-N
PubChem Substance ID16736
LabNetwork Molecule IDLN00147065
InChIInChI=1S/C8H6F3N3/c9-8(10,11)4-1-2-6-5(3-4)7(12)14-13-6/h1-3H,(H3,12,13,14)
Canonical SMILESNC1=NNC2=C1C=C(C(F)(F)F)C=C2
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indazoles
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
RTECSNK7772500
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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Packing GroupIII
UN Number UN2811
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 90 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   54,275,1983

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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P301+P310
  • P301+P316
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P316
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P317
  • P337+P317
  • P361+P364
  • 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.....
Signal word Danger
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes T
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
2
H-bond Acceptors
1
Rotatable Bonds
0
LogP
1

系列性分类


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