4-Nitroindazole 4-硝基吲唑

CAS 2942-40-7 MFCD00022784

化学结构图

2942-40-7
SMILES: O=[N+]([O-])c1cccc2[nH]ncc12

化学属性

Mol. FormulaC7H5N3O2
Mol. Weight163.14
Melting Point199-203°C
Appearance 淡黄色固体
Boiling Point383.3°C at 760 mmHg

别名和识别编码

Chemical Name4-Nitro-1H-indazole
CAS Number2942-40-7
Alfabeta NameNITROINDAZOLE H41---
MDL NumberMFCD00022784
Synonym 4-Nitro-1H-indazole {LY} 4-Nitro-1H-indazole {} {LY} 4-Nitro-1H-indazole {} {} {LY} 4-Nitro-1H-indazole {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-indazole
Chemical Name Translation4-硝基吲唑
InChIKeyWBTVZVUYPVQEIF-UHFFFAOYSA-N
Wiswesser Line NotationT56 BMNJ FNW
Beilstein Registry Number0008161
LabNetwork Molecule IDLN00011012
PubChem Substance ID18057
InChIInChI=1S/C7H5N3O2/c11-10(12)7-3-1-2-6-5(7)4-8-9-6/h1-4H,(H,8,9)
Canonical SMILESO=[N+]([O-])C1=C2C(NN=C2)=CC=C1
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分类

  • {KO} Nitros
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Safety Statements
  • 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;
  • 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;
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
RTECSNK7960000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 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#03515

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
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+P317
  • P302+P352
  • P304+P340
  • 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。
  • P316
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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

其他信息

  • MOL 文件:2942-40-7.mol

系列性分类


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