Benzoic acid, 4-​amino-​3-​nitro-​, methyl ester 4-氨基-3-硝基本甲酸甲酯

CAS 3987-92-6 MFCD00017562

化学结构图

3987-92-6
SMILES: COC(=O)c1ccc(N)c([N+](=O)[O-])c1

化学属性

Mol. FormulaC8H8N2O4
Mol. Weight196.16
Melting Point204-206°C
TSCANo
Boiling Point392.8°C at 760 mmHg

别名和识别编码

Chemical NameBenzoic acid, 4-​amino-​3-​nitro-​, methyl ester
CAS Number3987-92-6
Alfabeta NameMETHYLAMINONITROBENZENECARBOXYLATE 43---
MDL NumberMFCD00017562
Synonym Methyl 4-amino-3-nitrobenzoate {LY} Methyl 4-amino-3-nitrobenzoate {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-3-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-3-ni
Chemical Name Translation4-氨基-3-硝基本甲酸甲酯
LabNetwork Molecule IDLN00001660
PubChem Substance ID3941008
InChIInChI=1S/C8H8N2O4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,9H2,1H3
Canonical SMILESO=C(OC)C1=CC=C(N)C([N+]([O-])=O)=C1
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分类

  • {KO} Nitros
  • {KO} Esters
  • {KO} Anilines

安全信息

Warnings IRRITANT
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
1
LogP
9.471000000000001e-001

系列性分类

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