铜酞菁-3,4,4,4-四磺酸四钠盐

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

铜酞菁-3,4,4,4-四磺酸四钠盐 基本信息

中文名称:
铜酞菁-3,4,4,4-四磺酸四钠盐 
中文别名:
铜酞菁-3,4',4'',4'''-四磺酸四钠盐;
铜酞菁-3,4`,4``,4```-四磺酸四钠盐;
铜酞菁-3,4',4'',4'''-四磺酸 
英文名称:
Cuprate(4-),[29H,31H-phthalocyanine-1,9,16,23-tetrasulfonato(6-)-kN29,kN30,kN31,kN32]-, sodium (1:4), (SP-4-2)-
英文别名:
3,4',4'',4'''-Tetrasulfonyl copper phthalocyanine, tetra sodium salt;
copper phthalocyanine-3,4',4'',4'''-tetrasulfonic acid tetrasodium salt 
CAS No.:
123439-80-5
分 子 式:
C32H12CuN8O12S4.4Na
分 子 量:
984.25
精确分子量:
894.90700
PSA:
338.05000
MDL:
MFCD00012145
InChI:
The Key: WFDFTUFLTOGWCR-UHFFFAOYSA-J
风险术语:
R36/37/38
安全术语:
S26S36
分子结构式:
SDS:
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铜酞菁-3,4,4,4-四磺酸四钠盐 物化性质

熔点:
>300ºC(lit.)
存储条件/存储方法:

储存在阴凉、干燥、通风的库房。

稳定性相关:

常温常压稳定,避免与氧化物接触。

其它信息:

1.      性状:固体。

2.      密度(g/mL,20):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):>300

5.      沸点(ºC,常压):未确定

6.      沸点(ºC, 760mmHg):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(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa, 20ºC):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

铜酞菁-3,4,4,4-四磺酸四钠盐 安全信息

安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi

铜酞菁-3,4,4,4-四磺酸四钠盐 毒理性

毒理学数据:

皮肤接触可能会引起刺激作用。经眼则可能会引起眼睛不适。吸入可能对咽有害,对呼吸道也可能造成刺激。

铜酞菁-3,4,4,4-四磺酸四钠盐 MSDS

Name: Copper phthalocyanine-3,4',4",4"'-tetrasul fonic acid,tetrasodium Material Safety Data Sheet
Synonym:
CAS: 123439-80-5
Section 1 - Chemical Product MSDS Name: Copper phthalocyanine-3,4',4",4"'-tetrasul fonic acid,tetrasodium Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
123439-80-5 Copper phthalocyanine-3,4',4'',4'''-te unlisted
+++++
Hazard Symbols: XI
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.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.
Chronic:
Individuals with Wilson's disease are unable to metabolize copper. Thus, copper accumulates in various tissues and may result in liver, kidney, and brain damage.
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:
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:
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 if cough or other symptoms appear.
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.
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Exposure Limits CAS# 123439-80-5: Personal Protective Equipment
Eyes:
Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Negligible
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in water
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 576.08
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 123439-80-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Copper phthalocyanine-3,4',4'',4'''-tetrasulfonic acid, tetrasodium salt - 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 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 123439-80-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 123439-80-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 123439-80-5 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 8/24/1997 Revision #2 Date: 3/18/2003 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

铜酞菁-3,4,4,4-四磺酸四钠盐 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:982.834429 Da

8、标称质量:983 Da

9、平均质量:984.2492 Da

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:4

3.氢键受体数量:20

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330

7.重原子数量:57

8.表面电荷:0

9.复杂度:1960

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:2

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