4-Nitro-1H-pyrazole 4-硝基-1H-吡唑

CAS 2075-46-9 MFCD00159626

化学结构图

2075-46-9
SMILES: O=[N+]([O-])c1cn[nH]c1

化学属性

Mol. FormulaC3H3N3O2
Mol. Weight113.07
Melting Point160-164°C
TSCANo
Density1.552
Boiling Point333.9°C at 760 mmHg

别名和识别编码

Chemical Name4-Nitro-1H-pyrazole
CAS Number2075-46-9
Alfabeta NameNITROPYRAZOLE H41---
MDL NumberMFCD00159626
Reaxys-RN113433
Beilstein Registry Number113433
PubChem Substance ID16376
Synonym 4-Nitropyrazole {LY} 4-Nitropyrazole {} {LY} 4-Nitropyrazole {} {} {LY} 4-Nitropyrazole {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitropyrazole
Chemical Name Translation4-硝基-1H-吡唑
InChIKeyXORHNJQEWQGXCN-UHFFFAOYSA-N
Wiswesser Line NotationT5MNJ DNW
LabNetwork Molecule IDLN00130156
InChIInChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5)
Canonical SMILESO=[N+](C1=CNN=C1)[O-]
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} Nitros
  • {SNA} Building Blocks, C3 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles

相关文献及参考

  • Beilstein:23(5)4,183

安全信息

Warnings IRRITANT
RTECSUQ7880000
Signal word Danger
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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。
  • 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+P312
  • P301+P312+P330
  • P301+P317
  • P302+P350
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P317
  • P319
  • P321 Specific treatment (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
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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;
  • S37 Wear suitable gloves 戴适当手套;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
GHS Symbol
WGK Germany3
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn Xi,Xn
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 500 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 8,611,1986

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

H-bond Donors
1
H-bond Acceptors
3
Rotatable Bonds
0
LogP
3.276000000000000e-001

其他信息

  • Alfa Aesar:4-硝基-1H-吡唑,97% 4-Nitro-1H-pyrazole, 97%(2075-46-9)
  • 4-硝基吡唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0862 4-硝基吡唑 4-Nitropyrazole 5G 556元 2014/06/02 N0862 4-硝基吡唑 4-Nitropyrazole 25G 2060元 2010/05/25 H27084 4-硝基-1H-吡唑, 97% 4-Nitro-1H-pyrazole, 97% 250mg 930元
  • 4-硝基吡唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 N0862 4-硝基吡唑 4-Nitropyrazole 5G 1400元 2011/04/16 N0862 4-硝基吡唑 4-Nitropyrazole 25G 4860元 2010/05/25 H27084 4-硝基-1H-吡唑, 97% 4-Nitro-1H-pyrazole, 97% 250mg 930元
  • Sigma Aldrich:2075-46-9(sigmaaldrich)
  • MOL 文件:2075-46-9.mol

系列性分类


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