异丙基氯化镁-氯化锂

异丙基氯化镁-氯化锂 基本信息
CAS号 745038-86-2 分子式 C3H7Cl2Mg.Li
分子量 145.24336 精确质量  143.99353
PSA  0.00000 LogP  -0.94250

基本信息 展开↓

CAS号:
745038-86-2
分子式:
C3H7Cl2Mg.Li
分子量:
145.24336
中文名称:
异丙基氯化镁-氯化锂
英文名称:
Magnesate(1-), dichloro(1-methylethyl)-, lithium (1:1)
中文别名:
异丙基氯化镁-氯化锂
英文别名:
Magnesate(1-), dichloro(1-methylethyl)-, lithium (1:1);
Magnesate(1-), dichloro(1-methylethyl)-, lithium (9CI);
Isopropylmagnesium chloride-lithium chloride complex
精确分子量/精确质量:
143.99353
极性分子表面积/PSA:
0.00000
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:
MFCD07784514

物化性质展开↓

密度:
1.05
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):1.05

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

危险类别码:
R34
安全说明:
7/8-45-43B-36/37/39-33-16
危险标志:
C-F

毒理性展开↓

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↓


Section 1: Product Identification
   Chemical Name:       i-Propylmagnesium chloride, lithium chloride complex 1.3M (14wt% +/-1wt%) in tetrahydrofuran    
   CAS Registry Number:       745038-86-2    
   Formula:       (CH3)2CHMgCl.LiCl    
   EINECS Number:       213-947-1    
   Chemical Family:       grignard reagent    
   Synonym:       Chloro(1-methylethyl)magnesium    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       745038-86-2       14%       no data       no data    
   THF       109-99-9       86%       200ppm       560mg/m3    

Section 3: Hazards Identification
   Extremely flammable. Reacts violently with moisture causing chemical burns on prolonged contact with human
   Emergency Overview:
   tissue. Harmful if swallowed. Causes burns. Possible risk of irreversible effects.
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes    
   Eye Contact:       Corrosive to eyes. May cause severe eye damage.    
   Skin Contact:       Causes severe irritation and chemical burns with blistering and scarring.    
   Causes severe irritation of the nose, mucous membranes and respiratory tract . THF may cause nausea,
   Inhalation:
   dizziness, headache, drowsiness.
   Ingestion:       Harmful if swallowed. Ingestion causes severe burns to the mouth, throat and gastrointestinal tissues.    
   Corrosive to skin, eyes and respiratory tract. May cause severe eye damage. Skin contact causes burns with
   Acute Health Affects:
   scarring. Inhalation causes central nervous system depression.
   Tetrahydrofuran is an eye and mucous membrane irritant and can cause liver and kidney damage. Prolonged
   Chronic Health Affects:       inhalation of the vapors may lead to respiratory disorders. Lithium poisoning may result in kidney and central    
   nervous system effects. Possible risk of irreversible 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 water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   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.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       1°F (THF)    
   Autoignition Temperature:       610°F (THF)    
   Explosion Limits:       1.8%(LEL), 11.8%(UEL) (THF    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire, this material may emit toxic and corrosive fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Highly flammable. Vapors can form explosive mixtures with air. Hydrogen produced on contact with water.

SECTION 6: Accidental Release Measures
   Eliminate all potential spark sources. Small spills can be absorbed into vermiculite or other chemical adsorbent
   Spill and Leak Procedures:
   suitable for flammable materials. Sweep up the mixture and dispose of properly.

SECTION 7: Handling and Storage
   Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep in a cool, dry,
   Handling and Storage:
   well-ventilated place. Keep away from heat.

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 protective clothing and gloves.    
   Ventilation:       Handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       yellow-brown liq.    
   Molecular Weight:       145.24    
   Melting Point:       -108°C (THF)    
   Boiling Point:       66°C (THF)    
   Vapor Pressure:       143mmHg (20C) (THF)    
   Specific Gravity:       1.05    
   Odor:       ethereal odor    
   Solubility in Water:       reacts violently with water    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive, moisture sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       heat, ignition sources and contact with moisture    
   Incompatibility:       Acids, oxidizing agents, oxygen, water, alcohols, carbon dioxide, air    
   Decomposition Products:       carbon monoxide, carbon dioxide, magnesium, lithium and hydrogen chloride, organic fumes    

SECTION 11: Toxicological Information
   Title compound: No information available in the RTECS files. THF: Inhalation(human); TCLo: 25000ppm.
   Oral(rat); LD50: 1650mg/kg. Inhalation(rat); LC50: 21000ppm/3H. Intraperitoneal(rat); LD50: 2900mg/kg.
   RTECS Data:
   Inhalation(mouse); LCLo: 24000mg/m3/2H. Inhalation(rabbit); LC: >1200ppm/4H. Oral(guinea pig); LDLo:
   500mg/kg. Inhalation(rat); TCLo: 1800ppm/6H/2Y-I.
   Carcinogenic Effects:       Insufficient data    
   Mutagenic Effects:       THF: Possible mutagen    
   Tetratogenic Effects:       THF: Reproductive effector    

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):       Organometallic substance, Liquid, Water-reactive, Flammable    
   Hazard Class (CFR):       4.3    
   Additional Hazard Class (CFR):       3    
   Packaging Group (CFR):       I    
   UN ID Number (CFR):       UN# 3399    
   Shipping Name (IATA):       Organometallic substance, Liquid, Water-reactive, Flammable    
   Hazard Class (IATA):       4.3    
   Additional Hazard Class (IATA):       3    
   Packaging Group (IATA):       I    
   UN ID Number (IATA):       UN# 3399    

SECTION 15: Regulatory Information
   TSCA:       Listed in the TSCA inventory    
   SARA (Title 313):       Not reportable under SARA 313    
   Second Ingredient:       THF: Listed in the TSCA inventory. Not reportable under SARA 313.    


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:无可用

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

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:0

3.氢键受体数量:3

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0

7.重原子数量:7

8.表面电荷:0

9.复杂度:8.9

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:5

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