6-硝基藜芦酸甲酯

6-硝基藜芦酸甲酯 基本信息
CAS号 26791-93-5 分子式 C10H11NO6
分子量 241.19700 精确质量  241.05900
PSA  90.58000 LogP  1.92180

基本信息 展开↓

CAS号:
26791-93-5
3D弹球模型:
立即前往扯扯看
分子式:
C10H11NO6
分子量:
241.19700
中文名称:
6-硝基藜芦酸甲酯
英文名称:
Methyl 4,5-dimethoxy-2-nitrobenzoate
中文别名:
6-硝基藜芦酸甲酯;
4,5-二甲氧基-2-硝基苯甲酸甲酯
英文别名:
Methyl 4,5-dimethoxy-2-nitrobenzoate;
4,5-Dimethoxy-2-nitrobenzoic acid,methyl ester;
6-nitroveratric acid methyl ester;
methyl 2-nitroveratrate;
Benzoic acid,4,5-dimethoxy-2-nitro-,methyl ester;
methyl 2-nitro-3,4-dimethoxybenzoate;
Methyl 6-nitroveratrate;
3,4-dimethoxy-6-nitrobenzoic acid,methyl ester;
methyl 3,4-dimethoxy-6-nitro-benzoate;
Methyl 4,5-Dimethoxy-2-Nitrobenzoate
精确分子量/精确质量:
241.05900
极性分子表面积/PSA:
90.58000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00007239
EINECS:
248-008-5
BRN:
2381747
InChI:
InChI=1/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H3

生产制备方法及用途展开↓

制备方法


用作医药中间体

用途简介


用途


用作医药中间体

物化性质展开↓

密度:
1.288g/cm3
熔点:
141-144 °C(lit.)
沸点:
381.4ºC at 760mmHg
闪点:
176ºC
折射率:
1.531
蒸汽压:
5.07E-06mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

如果遵照规格使用和储存则不会分解

避免接触氧化物

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4℃):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):142-144

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kpa,20ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 2150-38-1

    3,4-二甲氧基苯甲酸甲酯

  • ~71%

  • 26791-93-5

    6-硝基藜芦酸甲酯

  • 186581-53-3

    重氮甲烷

  • +

  • 31839-20-0

    2-硝基-4-甲氧基-5-羟基苯甲酸

  • 26791-93-5

    6-硝基藜芦酸甲酯

  • 120-14-9

    香兰素甲醚

  • 26791-93-5

    6-硝基藜芦酸甲酯

化学图谱

  1. 4,5-二甲氧基-2-硝基苯甲酸甲酯红外图谱(IR1)

  2. 4,5-二甲氧基-2-硝基苯甲酸甲酯红外图谱(IR2)

  3. 4,5-二甲氧基-2-硝基苯甲酸甲酯质谱(MS)

  4. 4,5-二甲氧基-2-硝基苯甲酸甲酯核磁图(13CNMR)

  5. 4,5-二甲氧基-2-硝基苯甲酸甲酯核磁图(1HNMR)

上一页 1/4 下一页

毒理性展开↓

生态数据:

通常来说对水是不危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: Methyl 4,5-dimethoxy-2-nitrobenzoate, 97% Material Safety Data Sheet
Synonym:
CAS: 26791-93-5
Section 1 - Chemical Product MSDS Name: Methyl 4,5-dimethoxy-2-nitrobenzoate, 97% Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
26791-93-5 Methyl 4,5-dimethoxy-2-nitrobenzoate 97% 248-008-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.
SECTION 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 26791-93-5: Personal Protective Equipment
Eyes:
Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 141 - 144 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H11NO6
Molecular Weight: 241
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, strong acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 26791-93-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 4,5-dimethoxy-2-nitrobenzoate - Not listed by ACGIH, IARC, or NTP.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 26791-93-5: No information available. Canada CAS# 26791-93-5 is listed on Canada's NDSL List. CAS# 26791-93-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 26791-93-5 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 6/10/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


1   摩尔折射率:57.92

2   摩尔体积m3/mol187.1

3   等张比容(90.2K):480.9

4   表面张力dyne/cm43.5

5   极化率10-24cm322.96

计算化学数据


1.疏水参数计算参考值(XlogP):1.5

2.氢键供体数量:0

3.氢键受体数量:6

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积90.6

7.重原子数量:17

8.表面电荷:0

9.复杂度:289

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

更多
  • 2150-38-1

    3,4-二甲氧基苯甲酸甲酯

  • 3943-74-6

    香草酸甲酯

  • 121-34-6

    香草酸

  • 67-56-1

    甲醇

  • 4998-07-6

    6-硝基藜芦酸

下游产品

更多
  • 31839-20-0

    2-硝基-4-甲氧基-5-羟基苯甲酸

  • 5653-40-7

    2-氨基-4,5-二甲氧基苯甲酸

  • 20197-86-8

    2-氯-6,7-二甲氧基-3H-喹唑啉-4-酮

  • 215659-03-3

    5-羟基-4-甲氧基-2-硝基苯甲酸甲酯

  • 29568-78-3

    4,5-dimethoxy-2-nitrobenzoyl chloride

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便