1-Methyl-6-Nitro-1H-Indazole 1-甲基-6-硝基-1H-吲唑

CAS 6850-23-3 MFCD00456124

化学结构图

6850-23-3
SMILES: Cn1ncc2ccc([N+](=O)[O-])cc21

化学属性

Mol. FormulaC8H7N3O2
Mol. Weight177.16
Melting Point122-123 °C
TSCANo
Density
Boiling Point332.9 °C at 760 mmHg

别名和识别编码

Chemical Name1-Methyl-6-Nitro-1H-Indazole
CAS Number6850-23-3
Alfabeta NameMETHYLNITROINDAZOLE H161-----
MDL NumberMFCD00456124
Chemical Name Translation1-甲基-6-硝基-1H-吲唑
InChIKeyTUWHJYXETJCCPJ-UHFFFAOYSA-N
Synonym 1-Methyl-6-nitro-1H-indazole {LY} 1-Methyl-6-nitro-1H-indazole {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-6-nitro-1H-indaz
EC Number
Beilstein Registry Number
PubChem Substance ID81290
InChIInChI=1S/C8H7N3O2/c1-10-8-4-7(11(12)13)3-2-6(8)5-9-10/h2-5H,1H3
LabNetwork Molecule IDLN00150474
Canonical SMILESO=[N+](C1=CC2=C(C=C1)C=NN2C)[O-]
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分类

  • {KO} Nitros

安全信息

Warnings IRRITANT
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；
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
GHS Symbol
UN Number
Hazard Codes
Signal word
WGK Germany
Precautionary statements
RTECS
Packing Group
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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 Acceptors
3
Rotatable Bonds
0
H-bond Donors
0
LogP
1

系列性分类

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