2-Methyl-6-nitro-1,3-benzoxazole 2-甲基-6-硝基苯并噁唑

CAS 5683-43-2 MFCD00022848

化学结构图

5683-43-2
SMILES: Cc1nc2ccc([N+](=O)[O-])cc2o1

化学属性

Mol. FormulaC8H6N2O3
Mol. Weight178.14
Melting Point157-158°C
TSCANo
Boiling Point303.1°C at 760 mmHg

别名和识别编码

Chemical Name2-Methyl-6-nitro-1,3-benzoxazole
CAS Number5683-43-2
Alfabeta NameMETHYLNITROBENZOXAZOLE 2613-----,
MDL NumberMFCD00022848
EC Number227-149-6
Synonym 2-methyl-6-nitrobenzoxazole {LY} 2-methyl-6-nitrobenzoxazole {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {} {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {} {} {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-methyl-6-nitrobenzoxazole {} {} {} {} {} {} {} {}
Chemical Name Translation2-甲基-6-硝基苯并噁唑
InChIKeyDPVZLXWUFYMLBK-UHFFFAOYSA-N
LabNetwork Molecule IDLN00146634
PubChem Substance ID79766
InChIInChI=1S/C8H6N2O3/c1-5-9-7-3-2-6(10(11)12)4-8(7)13-5/h2-4H,1H3
Canonical SMILESO=[N+](C1=CC=C2N=C(C)OC2=C1)[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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
0
H-bond Donors
0
LogP
1

其他信息

  • 2-甲基-6-硝基苯并恶唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 B22415 2-甲基-6-硝基苯并唑, 98% 2-Methyl-6-nitrobenzoxazole, 98% 5g 923元 2010/05/25 B22415 2-甲基-6-硝基苯并唑, 98% 2-Methyl-6-nitrobenzoxazole, 98% 25g 3486元 2010/05/25 B22415 2-甲基-6-硝基苯并唑, 98% 2-Methyl-6-nitrobenzoxazole, 98% 100g 11676元
  • Sigma Aldrich:5683-43-2(sigmaaldrich)
  • MOL 文件:5683-43-2.mol
  • Alfa Aesar:2-甲基-6-硝基苯并唑,98% 2-Methyl-6-nitrobenzoxazole, 98%(5683-43-2)

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. Benzoxazole 苯并恶唑

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