5-Chloro-1H-Indazole 5-氯-1H-吲唑
CAS 698-26-0 MFCD00022785
化学结构图
SMILES: Clc1cc2c[n][nH]c2cc1
化学属性
| Mol. Formula | C7 |
|---|---|
| Mol. Weight | 153 |
| Melting Point | 118-120° |
别名和识别编码
| Chemical Name | 5-Chloro-1H-Indazole |
|---|---|
| CAS Number | 698-26-0 |
| Alfabeta Name | CHLOROINDAZOLE H51--- |
| MDL Number | MFCD00022785 |
| EC Number | 211-812-1 |
| Synonym | 5-Chloroindazole 5-氯-1H-吲唑 |
| Chemical Name Translation | 5-氯-1H-吲唑 |
| InChIKey | FVNCILPDWNBPLK-UHFFFAOYSA-N |
| Wiswesser Line Notation | T56 BM DNJ GG |
| Beilstein Registry Number | 0003260 |
| PubChem Substance ID | 329782914 |
| LabNetwork Molecule ID | LN00156307 |
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分类
- {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indazoles
- Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indazoles, New Products for Chemical Synthesis
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 180 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#01333
GHS Symbol
- R22 Harmful if swallowed 吞咽有害
- H302 Harmful if swallowed 吞食有害
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
1
Rotatable Bonds
0
LogP
1
