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
SMILES: CC1=NNC(C)=C1[N+]([O-])=O
化学属性
| Mol. Formula | C5H7N3O2 |
|---|---|
| Mol. Weight | 141.13 |
| Melting Point | 125.0 to 129.0 deg-C |
| Boiling Point | 325°C(lit.) |
别名和识别编码
| Chemical Name | 3,5-Dimethyl-4-nitro-1H-pyrazole |
|---|---|
| CAS Number | 14531-55-6 |
| Alfabeta Name | DIMETHYLNITROPYRAZOLE H3541-----, |
| MDL Number | MFCD00052513 |
| 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 Translation | 3,5-二甲基-4-硝基吡唑 |
| Wiswesser Line Notation | T5MNJ C1 DNW E1 |
| Beilstein Registry Number | 0125474 |
| Reaxys-RN | 125474 |
| PubChem Substance ID | 253660267 |
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分类
- {KO} Nitros
- {KO} AminesSecondaryHeteroNH
安全信息
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
- H315 Causes skin irritation 会刺激皮肤
- 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
