苯基乙酰基铜

苯基乙酰基铜 基本信息
CAS号 13146-23-1 分子式 C8H5Cu
分子量 164.67100 精确质量  163.96900
PSA  0.00000 LogP  1.54240

基本信息 展开↓

CAS号:
13146-23-1
3D弹球模型:
立即前往扯扯看
分子式:
C8H5Cu
分子量:
164.67100
中文名称:
苯基乙酰基铜
英文名称:
COPPER (I) PHENYLACETYLIDE
中文别名:
苯基乙酰基铜;
苯乙炔亚铜;
苯基乙酰基铜(I)
英文别名:
COPPER (I) PHENYLACETYLIDE;
Cu phenylacetylide;
copper phenylacetylenide;
Copper(I) phenylacetylide;
Copperphenylacetylide;
CUPROUS PHENYLACETYLIDE
精确分子量/精确质量:
163.96900
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:
MFCD00015578
InChI:
The Key: GCQOYXAQVJNPQI-UHFFFAOYSA-N

物化性质展开↓

存储条件/存储方法:

常温密闭,阴凉通风干燥

稳定性相关:

常温常压下稳定

避免的物料 氧化物 水分/潮湿 空气 酸

其它信息:

1.        性状:黄色浅棕色粉末。

2.        密度(g/mL,25):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(ºC5mmHg):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(20ºC):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:
4.2
海关代码:
2902909090
危险类别码:
20/21/22
安全说明:
22-36/37/39
安全标志:
S22:不要吸入粉尘。
:

毒理性展开↓

毒理学数据:

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

致敏作用:没有已知的敏化现象

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:       Copper (I) phenylacetylide, min. 97%    
   CAS Registry Number:       13146-23-1    
   Formula:       C6H5CCCu    
   EINECS Number:       none    
   Chemical Family:       organometallic complex    
   Synonym:       1-phenyl-2-copper-ethyne    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       13146-23-1       100%       1mg/m3 (as Cu)       1mg/m3 (as Cu)    

Section 3: Hazards Identification
   Emergency Overview:       May be irritating to the skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       May cause slight to mild irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       Inhalation of dust can lead to irritation of the respiratory tract.    
   Ingestion:       Ingestion of copper compounds may lead to vomiting, exhaustion, anemia, convulsions and coma.    
   May be irritating to skin, eyes and respiratory tract. Ingestion of large amounts of copper compounds may lead
   Acute Health Affects:
   to vomiting, exhaustion, anemia, convulsions and coma.
   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 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:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder    
   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       Combustible material. If involved in a fire this material may emit toxic and corrosive fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Dust will form explosive mixtures with air

SECTION 6: Accidental Release Measures
   Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
   Spill and Leak Procedures:
   swept up.

SECTION 7: Handling and Storage
   Store material in a cool, dry place in a tightly sealed container under an inert atmosphere of nitrogen or argon.
   Handling and Storage:

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:       Material may form a fine dust. If possible, 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:       Material may form a fine dust. 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:       yellow xtl.    
   Molecular Weight:       164.67    
   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 sensitive, moisture sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       Oxidizing agents and halogens    
   Decomposition Products:       copper oxide, carbon monoxide, carbon dioxide, and organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No specific information available on this product.    
   Carcinogenic Effects:       No data    
   Mutagenic Effects:       No data    
   Tetratogenic Effects:       No data    

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:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Title compound: See category N100 for reporting.    
   Second Ingredient:       None    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2902909090

概述:
2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
申报要素:
品名, 成分含量
摘要/Summary:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

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:163.968726 Da

8、标称质量:164 Da

9、平均质量:164.6713 Da

计算化学数据


1、   疏水参数计算参考值(XlogP):0.8

2、   氢键供体数量:2

3、   氢键受体数量:2

4、   可旋转化学键数量:4

5、   互变异构体数量:2

6、   拓扑分子极性表面积(TPSA):54.1

7、   重原子数量:17

8、   表面电荷:0

9、   复杂度:270

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:1

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