酞菁镁

酞菁镁 基本信息
CAS号 68424-71-5 分子式 C22H14MgO4
分子量 366.64900 精确质量 　366.07400
PSA 　80.26000 LogP 　2.40660
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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 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
68424-71-5
分子式：
C22H14MgO4
分子量：
366.64900
中文名称：
酞菁镁
英文名称：
Magnesium di(2-naphthoate)
中文别名：
酞菁镁;
环烷酸镁
英文别名：
Magnesium di(2-naphthoate);
Magnesium naphthenate (3.5-8% Mg);
magnesium dinaphthalene-2-carboxylate;
Magnesium naphthenate;
UNII-VH2XOU12IE;
Polydextrose;
Manganantimontitanlederfarbenrutil;
manganese antimony titanium buff rutile;
(2S)-2-hydroxy-3-(morpholin-4-ium-4-yl)propane-1-sulfonate;
(2R)-2-hydroxy-3-(morpholin-4-ium-4-yl)propane-1-sulfonate;
2-hydroxy-4-morpholinepropanesulphonic acid;
FCR 4545;
cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate;
β-Cyfluthrin suspension;
beta-cyfluthrin TC;
(RS)-a-cyano-4-fluoro-3-phenoxybenzyl (1RS,3RS;
[(R)-cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate;
cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate (unstated stereochemistry);
(R)-cyano(4-fluoro-3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate;
);
(r,s)-alpha-cyano-4-fluoro-3-phenoxybenzyl-(1r,s)-cis,trans-3-(2,2-dichlorovin;
(rs)-alpha-cyano-4-fluoro-3-pheno
精确分子量/精确质量：
366.07400
极性分子表面积/PSA：
80.26000
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：
MFCD00147520
EINECS：
270-317-9
InChI：
InChI=1/2C11H8O2.Mg/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2

生产制备方法及用途展开↓

制备方法

用于内燃机油和燃料油的清净分散剂

用途简介

物化性质展开↓

外观与性状：
黄色至棕色树脂质的液体
熔点：
> 100ºC
闪点：
combustible
存储条件/存储方法：

存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。

稳定性相关：

远离氧化物，卤素。

其它信息：

1.       性状：黑色块状液体。

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）：未确定

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,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：不能溶于水。

安全信息展开↓

危险类别码：
36/37/38
安全说明：
S26-S36-S37-S39
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。
:

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QK9170000
CHEMICAL NAME :
Naphthenic acid, magnesium salt
CAS REGISTRY NUMBER :
68424-71-5
LAST UPDATED :
199706

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9140 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(1),85,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6450 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(1),85,1984 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
54900 mg/kg/30D-I
TOXIC EFFECTS :
Liver - liver function tests impaired Blood - normocytic anemia Related to Chronic Data - death
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(1),85,1984
毒理学数据：

1、急性毒性：大鼠（口服）LD50： 9,140 mg/kg
             小鼠（腹膜）LD50： 6,450 mg/kg

由于食盐的LD50是3,000 mg/kg，BPA的急性毒性程度与食盐同。

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Section 1: Product Identification
   Chemical Name:       Magnesium naphthenate (3.5-8.0% Mg)    
   CAS Registry Number:       68424-71-5    
   Formula:       Mg salt of napthenic acid    
   EINECS Number:       none    
   Chemical Family:       metal carboxylate    
   Synonym:       Naphthenic acid, magnesium salt    
Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       68424-71-5       100%       no data       no data    
Section 3: Hazards Identification
   Emergency Overview:       No particular hazard associated with this material.    
   Primary Routes of Exposure:       Ingestion, skin    
   Eye Contact:       May causes slight to mild irritation of the eyes.    
   Skin Contact:       May causes slight to mild irritation of the skin.    
   Inhalation:       The material is a liquid. Inhalation is an unlikely source of exposure.    
   Ingestion:       No information on the physiological effects of ingestion.    
   Acute Health Affects:       May be irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    
SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with soap and water. Remove contaminated clothes if necessary. Seek medical
   Skin Exposure:
   assistance if irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Ingestion:       Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious).    
SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.
SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    
SECTION 7: Handling and Storage
   Handling and Storage:       Store in a sealed container. Keep away from heat and moisture.    
SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear appropriate chemical resistant gloves and protective clothing.    
   Ventilation:       If possible, handle the material in an efficient fume hood.    
   Respirator:       No respirator required.    
   Ventilation:       If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    
SECTION 9: Physical and Chemical Properties
   Color and Form:       dark viscous liq.    
   Molecular Weight:       not applicable    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       not applicable    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    
SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents and halogens    
   Decomposition Products:       Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.    
SECTION 11: Toxicological Information
   RTECS Data:       Oral (rat); LD50: 9140 mg/kg. Oral (mouse); LD50: 6450 mg/kg. Oral (rat); TDLo: 5490 mg/kg/30D-I.    
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    
SECTION 12: Ecological Information
   Ecological Information:       No information available    
SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    
SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    
SECTION 15: Regulatory Information
   TSCA:       Listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       none    

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据

1、   疏水参数计算参考值（XlogP）：0.2

2、   氢键供体数量：1

3、   氢键受体数量：1

4、   可旋转化学键数量：1

5、   拓扑分子极性表面积（TPSA）：43.1

6、   重原子数量：6

7、   表面电荷：0

8、   复杂度：58.6

9、   同位素原子数量：0

10、   确定原子立构中心数量：0

11、   不确定原子立构中心数量：0

12、   确定化学键立构中心数量：0

13、   不确定化学键立构中心数量：0

14、   共价键单元数量：1

 

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