五羰基氯铼(I)

五羰基氯铼(I) 基本信息
CAS号 14099-01-5 分子式 C5ClO5Re
分子量 361.71000 精确质量  361.89900
PSA  0.00000 LogP  -0.35050

基本信息 展开↓

CAS号:
14099-01-5
3D弹球模型:
立即前往扯扯看
分子式:
C5ClO5Re
分子量:
361.71000
中文名称:
五羰基氯铼(I)
英文名称:
Rhenium pentacarbonyl chloride
中文别名:
五羰基氯铼(I);
氯化五羰基铼;
五羰基氯化铼(I);
氯代五羰基铼(I)
英文别名:
Rhenium pentacarbonyl chloride;
carbon monoxide,chlororhenium;
Chloropentacarbonylrhenium(I)
精确分子量/精确质量:
361.89900
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:
MFCD00013296
EINECS:
237-948-1
PubChem:
24859674
InChI:
The Key: JQUUAHKBIXPQAP-UHFFFAOYSA-M

物化性质展开↓

存储条件/存储方法:

常温密闭避光,通风干燥

稳定性相关:

常温常压下稳定

避免的物料:水分/潮湿  空气 氧化物

其它信息:

1.       性状:米色粉末

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:未确定

安全信息展开↓

包装等级:
II
风险类别:
6.1
危险类别码:
23/24/25-36/37/38
安全说明:
26-28-36/37/39-45
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。
S28:接触皮肤之后,立即使用大量皂液洗涤。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T: Toxic;

合成路线查看所有的合成路线

  • 14285-68-8

    十羰基二铼

  • ~99%

  • 14099-01-5

    五羰基氯铼(I)

  • 7647-01-0

    氯化氢

  • +

  • 10466-65-6

    高铼酸钾

  • ~84%

  • 14099-01-5

    五羰基氯铼(I)

  • 101049-16-5

    μ-fluoro-bis(pentacarbonylrhenium)-hexafluorophosphate

  • +

  • 7647-14-5

    氯化钠

  • ~71%

  • 14099-01-5

    五羰基氯铼(I)

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:刺激皮肤和粘膜;     

在眼睛上面: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↓


Section 1: Product Identification
   Chemical Name:       Rhenium pentacarbonyl chloride, 98%    
   CAS Registry Number:       14099-01-5    
   Formula:       Re(CO)5Cl    
   EINECS Number:       237-948-1    
   Chemical Family:       metal carbonyl complexes    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       14099-01-5       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Inhalation    
   Eye Contact:       May cause mild irritation to the eyes.    
   Skin Contact:       Causes mild irritation to the skin.    
   Inhalation:       Irritating to the nose mucous membranes and respiratory tract.    
   Ingestion:       No specific information is available on the physiological effects of ingestion. May be harmful if swallowed.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract. Inhalation could lead to headache and dizziness.    
   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 15 minutes. A victim will need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area immediately with water. Remove contaminated clothing if necessary. Seek medical
   Skin Exposure:
   assistance if irritation persists.
   Remove victim to fresh air immediately. Keep the victim lying down and warm. Give oxygen as soon as
   Inhalation:
   possible. If shock occurs, respond with appropriate first aid. Transport the victim to a hospital.
   Seek medical attention immediately. Keep the victim calm. Give water to dilute the toxin (only if conscious).
   Ingestion:
   Induce vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry chemical 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.
   Hazardous Combustion and       carbon monoxide, carbon dioxide, and rhenium oxide dust.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small quantities can be mixed with sodium carbonate or vermiculite and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a cool, dry, well-ventilated area away from heat and direct sunlight. Keep containers tightly sealed.    

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling chemical substances.    
   Skin Protection:       Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.    
   Ventilation:       This product should be handled 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 29 CFR 1910.134.
   Ventilation:       This product should be handled in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       off-white xtl.    
   Molecular Weight:       361.71    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents, halogens and active metals    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes, hydrogen chloride, and rhenium oxide.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   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 this material 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:       Not 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↓

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:361.899026 Da

8、标称质量:362 Da

9、平均质量:361.7105 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:5

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5

7.重原子数量:12

8.表面电荷:0

9.复杂度:12

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:6

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