3,5-Dimethyl-4-nitro-1H-pyrazole 3,5-二甲基-4-硝基吡唑

CAS 14531-55-6 MFCD00052513

化学结构图

14531-55-6
SMILES: CC1=NNC(C)=C1[N+]([O-])=O

化学属性

Mol. FormulaC5H7N3O2
Mol. Weight141.13
Melting Point125.0 to 129.0 deg-C
Boiling Point325°C(lit.)

别名和识别编码

Chemical Name3,5-Dimethyl-4-nitro-1H-pyrazole
CAS Number14531-55-6
Alfabeta NameDIMETHYLNITROPYRAZOLE H3541-----,
MDL NumberMFCD00052513
Synonym 3,5-二甲基-4-硝基吡唑 3,5-Dimethyl-4-nitropyrazole 1H-Pyrazole, 3,5-dimethyl-4-nitro-
Chemical Name Translation3,5-二甲基-4-硝基吡唑
Wiswesser Line NotationT5MNJ C1 DNW E1
Beilstein Registry Number0125474
Reaxys-RN125474
PubChem Substance ID253660267
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分类

  • {KO} Nitros
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
RTECSUQ6585000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 325 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FATOAO Farmakologiya i Toksikologiya (Moscow).  For English translation, see
   PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-   
   1939-  Volume(issue)/page/year: 25,27,1962

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2500 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

Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Signal word
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P337+P313
GHS Symbol

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
9.914999999999999e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrazoles 吡唑

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