新铜试剂

新铜试剂 基本信息
CAS号 484-11-7 分子式 C14H12N2
分子量 208.25800 精确质量 　208.10000
PSA 　25.78000 LogP 　3.39980
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
484-11-7
3D弹球模型：
立即前往扯扯看
分子式：
C14H12N2
分子量：
208.25800
中文名称：
新铜试剂
英文名称：
2,9-Dimethyl-1,10-Phenanthroline
中文别名：
新铜试剂;
2,9-二甲基邻菲啰啉;
新亚铜试剂;
Me2一phen;
2,9-二甲基-1,10-邻菲罗啉;
新亚铜试剂半水合物;
2.9-二甲基-1.10-菲罗啉;
2,9-二甲基-1,10-邻菲咯啉;
9-二甲基-1,10-邻菲洛啉;
双喹哪啶;
2,9-二甲基-1,10-菲啰啉;
2,9-二甲基-1,10-邻菲洛啉
英文别名：
2,9-Dimethyl-1,10-Phenanthroline;
Neocuproine hemihydrate;
2,9-Dimethyl-1,10-phenanthroline Hemihydrate;
2,9-Dimethyl-1,10-phenanthroline;
Neocuproine
精确分子量/精确质量：
208.10000
极性分子表面积/PSA：
25.78000
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：
MFCD00004973
EINECS：
207-601-9
PubChem：
24897492
InChI：
InChI=1/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3

生产制备方法及用途展开↓

制备方法

暂无

合成制备方法

暂无

用途简介

光度分析测定铜，测定超微血糖。有机合成。

用途

光度分析测定铜，测定超微血糖。有机合成。

物化性质展开↓

外观与性状：
淡黄色-灰白色晶体
密度：
1.178 g/cm3
熔点：
159-164 °C
沸点：
367.4ºC at 760 mmHg
闪点：
159.7ºC
水溶解性：
slightly soluble
折射率：
1.693
蒸汽压：
2.89E-05mmHg at 25°C
存储条件/存储方法：

密封保存，放置于通风、干燥地方，避免于其他氧化物接触。

稳定性相关：

按规格使用和贮存，不会发生分解，避免与氧化物接触

其它信息：

1.      性状：未确定

2.      密度（g/m3,25/4℃）：未确定

3.      相对蒸汽密度（g/cm3,空气=1）：未确定

4.      熔点（ºC）：159-164

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（ºF）：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,25ºC）：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：微溶于水

安全信息展开↓

海关代码：
29339990
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R20/21/22;R36/37/38
安全说明：
S26-S36/37/39
危险标志：
Xn:Harmful;

合成路线查看所有的合成路线

  • 942267-04-1

    942267-04-1

  • →

    ~59%

  • 484-11-7

    新铜试剂

  • 18978-78-4

    8-氨基喹哪啶

  • +

  • 75-07-0

    乙醛

  • +

  • 109-92-2

    乙烯基乙醚

  • →

    ~41%

  • 484-11-7

    新铜试剂

  • 21710-12-3

    copper(1+),2,9-dimethyl-1,10-phenanthroline

  • +

  • 90030-13-0

    90030-13-0

  • →

  • 484-11-7

    新铜试剂

  • +

  • 88503-31-5

    88503-31-5

化学图谱

  1. 2,9-二甲基-1,10-菲罗啉红外图谱(IR1)

  2. 2,9-二甲基-1,10-菲罗啉红外图谱(IR2)

  3. 2,9-二甲基-1,10-菲罗啉质谱(MS)

  4. 2,9-二甲基-1,10-菲罗啉核磁图(13CNMR)

上一页 1/4 下一页

毒理性展开↓

毒理学数据：

暂无

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: 2 9-Dimethyl-1 10-phenanthroline Material Safety Data Sheet
Synonym: Neocuproine hemihydrat
CAS: 484-11-7
Section 1 - Chemical Product   MSDS Name:2 9-Dimethyl-1 10-phenanthroline Material Safety Data Sheet
Synonym:Neocuproine hemihydrat
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
484-11-7 2,9-Dimethyl-1,10-phenanthroline 100 207-601-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Light sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Reduce airborne dust and prevent scattering by moistening with water. Clean up spills immediately, observing precautions in the Protective Equipment section.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation. Store protected from light.
Storage:
Store in a cool, dry place. Do not store in direct sunlight. 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# 484-11-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 160 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble in water.
Specific Gravity/Density: Not available.
Molecular Formula: C14H12N2.0.5H2O
Molecular Weight: 225.1038
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 484-11-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,9-Dimethyl-1,10-phenanthroline - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.
Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 484-11-7: 1
Canada
CAS# 484-11-7 is listed on Canada's DSL List.
CAS# 484-11-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 484-11-7 is listed on the TSCA inventory.

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：67.77

2、  摩尔体积（m3/mol）：176.6

3、  等张比容（90.2K）：478.5

4、  表面张力（dyne/cm）：53.8

5、  极化率（10-24cm3）：26.86

计算化学数据

1.疏水参数计算参考值（XlogP）:3.3

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积25.8

7.重原子数量:16

8.表面电荷:0

9.复杂度:227

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

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