氘代氢化锂铝

氘代氢化锂铝 基本信息
CAS号 14128-54-2 分子式 AlD4.Li
分子量 41.92328 精确质量 　41.99755
PSA 　0.00000 LogP 　0.45000
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目录
基本信息 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：
14128-54-2
分子式：
AlD4.Li
分子量：
41.92328
中文名称：
氘代氢化锂铝
英文名称：
Aluminate(1-), tetrahydro-d4-, lithium (1:1), (T-4)-
中文别名：
氘代氢化锂铝;
氘化铝锂;
氘代锂铝
英文别名：
Aluminate(1-), tetrahydro-d4-, lithium (1:1), (T-4)-;
Aluminate(1-), tetrahydro-d4-, lithium (8CI);
Aluminate(1-), tetrahydro-d4-, lithium, (T-4)- (9CI);
Aluminum lithium hydride (LiAlD4) (6CI);
Aluminum lithium hydride (AlLiD4);
Aluminum lithium hydride AlLiH4-d4;
Lithium aluminium deuteride;
Lithium aluminum deuteride;
Lithium aluminum deuteride (LiAlD4);
Lithium aluminum hydride-d4;
Lithium aluminum tetradeuteride;
Lithium tetradeuterioaluminate;
Lithium tetradeuteroaluminate;
Lithium tetradeuteroaluminate(1-);
Lithium tetrahydro-d4-aluminate;
Lithium tetrahydroaluminate-d4(1-)
精确分子量/精确质量：
41.99755
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：
MFCD00044245
EINECS：
237-980-6
PubChem：
24851582
InChI：
InChI=1/Al.Li.4H/q-1;+1;;;;/i;;4*1+1/rAlH4.Li/h1H4;/q-1;+1/i1D4;

物化性质展开↓

外观与性状：
固体
密度：
0.736
熔点：
125 °C(lit.)
闪点：
<−30 °F
存储条件/存储方法：

常温密闭避光，通风干燥惰性气体下

稳定性相关：

常温常压下稳定

避免的物料：水分/潮湿

其它信息：

1.       性状： 液体

2.       密度（g/mL,25/4℃）：0.716

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）：不适用的

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：反应强烈

安全信息展开↓

包装等级：
I
风险类别：
4.3
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R11;R15;R34
安全说明：
S45-S36/37/39-S36-S26-S16-S7/8-S43-S24/25
危险标志：
F:Highlyflammable;C:Corrosive;

毒理性展开↓

毒理学数据：

1、急性毒性：主要的刺激性影响：

在皮肤上面：在皮肤和粘膜上造成腐蚀性影响，刺激皮肤和粘膜；

在眼睛上面：强烈的腐蚀性影响，刺激的影响；没有已知的敏化影响。

生态数据：

通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

MSDS 展开↓

Name: Lithium aluminum deuteride 98 atom % D Material Safety Data Sheet
Synonym: Aluminate(1-), tetrahydro-d4-, lithium,; Lithium tetradeuteridoaluminat
CAS: 14128-54-2
Section 1 - Chemical Product   MSDS Name:Lithium aluminum deuteride 98 atom % D Material Safety Data Sheet
Synonym:Aluminate(1-), tetrahydro-d4-, lithium,; Lithium tetradeuteridoaluminat
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
14128-54-2 Lithium aluminum deuteride 98 237-980-6
Hazard Symbols: F C
Risk Phrases: 11 15 17 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Contact with water liberates extremely flammable gases. Spontaneously flammable in air. Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. When substance becomes wet or comes in contact with moisture of the mucous membranes, it will cause irritation. May cause lacrimation (tearing), blurred vision, and photophobia. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause dermatitis. May cause cyanosis of the extremities. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. Ingestion of large amounts may cause CNS depression. May cause systemic effects. May cause nausea, vomiting, and diarrhea, possibly with blood.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause systemic effects. Olfactory fatigue may occur. May cause burning sensation in the chest.
Chronic:
Effects may be delayed.
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 immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Wash clothing before reuse. Destroy contaminated shoes. If water-reactive products are embedded in the skin, no water should be applied. The embedded products should be covered with a light oil.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do not use mouth-to-mouth resuscitation if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device.
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. Reacts violently with water giving off flammable gas which may explode. Vapors may form an explosive mixture with air. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Dust can be an explosion hazard when exposed to heat or flame. Flammable solid. May ignite or explode on contact with steam or moist air. May re-ignite after fire is extinguished. Runoff to sewer may create fire or explosion hazard.
Extinguishing Media:
Do NOT get water inside containers. Contact professional fire-fighters immediately. Cool containers with flooding quantities of water until well after fire is out. DO NOT USE WATER OR FOAM. Use DRY sand, sodium chloride powder, graphite powder, copper powder or Lith-X powder.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Avoid generating dusty conditions. Remove all sources of ignition.
Provide ventilation. Do not get water on spilled substances or inside containers. Cover with dry earth, dry sand, or other non-combustible material followed with plastic sheet to minimize spreading and contact with water.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Do not allow water to get into the container because of violent reaction. Minimize dust generation and accumulation. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Do not get in eyes, on skin, or on clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not ingest or inhale. Do not allow contact with water. Discard contaminated shoes. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep from contact with moist air and steam.
Storage:
Keep away from heat, sparks, and flame. Keep away from water. Water free area. Keep containers tightly closed. Store in a cool, dry area away from incompatible substances.
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. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 14128-54-2: 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 protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 175 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 175 deg C
Solubility in water: reacts
Specific Gravity/Density: Not available.
Molecular Formula: AlD4Li
Molecular Weight: 41.98
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Combines vigorously or explosively with water.
Conditions to Avoid:
Incompatible materials, ignition sources, dust generation, excess heat, strong oxidants, exposure to moist air or water.
Incompatibilities with Other Materials:
Water, strong oxidizing agents, acids, alcohols.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases, hydrogen gas, aluminum oxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 14128-54-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Lithium aluminum deuteride - 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
Shipping Name: LITHIUM ALUMINIUM HYDRIDE
Hazard Class: 4.3
UN Number: 1410
Packing Group: I
IMO
Shipping Name: LITHIUM ALUMINIUM HYDRIDE
Hazard Class: 4.3
UN Number: 1410
Packing Group: I
RID/ADR
Shipping Name: LITHIUM ALUMINIUM HYDRIDE
Hazard Class: 4.3
UN Number: 1410
Packing group: I
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F C
Risk Phrases:
R 11 Highly flammable.
R 15 Contact with water liberates extremely
flammable gases.
R 17 Spontaneously flammable in air.
R 34 Causes burns.
Safety Phrases:
S 7/8 Keep container tightly closed and dry.
S 24/25 Avoid contact with skin and eyes.
S 43B In case of fire, use fire-fighting equipment
on basis of sodium chloride, sodium bicarbonate (never
use water).
WGK (Water Danger/Protection)
CAS# 14128-54-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 14128-54-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14128-54-2 is not listed on the TSCA inventory.
It is for research and development use only.

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：42.053949 Da

8、标称质量：42 Da

9、平均质量：41.9789 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:0

3.氢键受体数量:1

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:2

8.表面电荷:0

9.复杂度:0

10.同位素原子数量:4

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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