Methyl 3-methyl-2-nitrobenzoate 3-甲基-2-硝基苯甲酸甲酯

CAS 5471-82-9 MFCD01003947

化学结构图

5471-82-9
SMILES: COC(=O)c1cccc(C)c1[N+](=O)[O-]

化学属性

Mol. FormulaC9H9NO4
Mol. Weight195.17
Melting Point72-73°C
Density1.422
Appearance 类白色或微黄色结晶粉末。
Boiling Point286.3°C at 760 mmHg

别名和识别编码

Chemical NameMethyl 3-methyl-2-nitrobenzoate
CAS Number5471-82-9
Alfabeta NameMETHYLMETHYLNITROBENZENECARBOXYLATE 32---
MDL NumberMFCD01003947
EC Number250-023-7
Beilstein Registry Number2581832
Synonym Methyl 3-methyl-2-nitrobenzoate {LY} Methyl 3-methyl-2-nitrobenzoate {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methyl-2-nitrobe
Chemical Name Translation3-甲基-2-硝基苯甲酸甲酯
Reaxys-RN2581832
PubChem Substance ID79621
InChIKeyNJHDBIXFFZVJGZ-UHFFFAOYSA-N
InChIInChI=1S/C9H9NO4/c1-6-4-3-5-7(9(11)14-2)8(6)10(12)13/h3-5H,1-2H3
LabNetwork Molecule IDLN00003805
Canonical SMILESO=C(OC)C1=CC=CC(C)=C1[N+]([O-])=O
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分类

  • {KO} Nitros
  • {KO} Esters

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P312
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激

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
0
LogP
2

其他信息

  • MOL 文件:5471-82-9.mol
  • 下游产品:7-吲哚甲酸

系列性分类


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