双茚基锆(VI)二氯化合物

双茚基锆(VI)二氯化合物 基本信息
CAS号 12148-49-1 分子式 C18H14Cl2Zr
分子量 392.43400 精确质量 　389.95200
PSA 　0.00000 LogP 　5.15480
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
12148-49-1
3D弹球模型：
立即前往扯扯看
分子式：
C18H14Cl2Zr
分子量：
392.43400
中文名称：
双茚基锆(VI)二氯化合物
英文名称：
DICHLOROBIS(INDENYL)ZIRCONIUM(IV)
中文别名：
双茚基锆(VI)二氯化合物;
二茚基二氯化锆;
Nsc176214;
1,1'-Diiodoferrocene;
Dibrimo(1,5-cyclooctadiene)platinum(II), 99.9%;
Dibromo(1,5-cyclooctadiene)platinum(II),99.9%;
Dibromo(1,5-cyclooctadiene)platinum(II),98%;
(1,5-CYCLOOCTADIENE)PLATINUM(II)BROMIDE 98%;
(1Z,5Z)-cycloocta-1,5-diene - dibromoplatinum (1:1);
DIBROMO(1,5-CYCLOOCTADIENE)PLATINUM(II);
thioxoammonium;
Ammonium sulfide;
ammonium fluoride hydrofluoride (1:1:1);
Ammonium fluoride;
5-methylcyclopenta-1,3-diene;
carbon monoxide, manganese, methylcyclopentane;
Methylcyclopentadienylmanganes Tricarbonyl(MMT);
tricarbonyl(methylcyclopentadienyl)manganese;
Coppercarbonatebasicbluegreenpowder;
copper carbonate (II)-copper hydroxide (II) (1:1);
Copperhydroxidecarbonate;
copper(2+)ato(2-) carbonatato(2-) hydroxido(2-) (2:1:2);
copper dihydroxycopper carbonate;
Copper carbonate basic;
Copper(II) carbonate basic;
Fruitdo;
Milmer;
Milmer 1;
Oxine-copper;
Copper 8-quinolinolate;
copper(2+) 8-hydroxyoctahydro-2H-quinolin-1-ide 8-hydroxy-2H-quinolin-1-ide (1:1:1);
quinolin-8-ol - copper (2:1);
copper(2+) diquinolin-8-olate
英文别名：
DICHLOROBIS(INDENYL)ZIRCONIUM(IV);
Dichlorobis(indenyl)zirconium(IV);
Bis(indenyl)zirconium dichloride;
1,1'-Diiodoferrocene;
Dibrimo(1,5-cyclooctadiene)platinum(II), 99.9%;
Dibromo(1,5-cyclooctadiene)platinum(II),99.9%;
Dibromo(1,5-cyclooctadiene)platinum(II),98%;
(1,5-CYCLOOCTADIENE)PLATINUM(II)BROMIDE 98%;
(1Z,5Z)-cycloocta-1,5-diene - dibromoplatinum (1:1);
DIBROMO(1,5-CYCLOOCTADIENE)PLATINUM(II);
thioxoammonium;
Ammonium sulfide;
ammonium fluoride hydrofluoride (1:1:1);
Ammonium fluoride;
5-methylcyclopenta-1,3-diene;
carbon monoxide, manganese, methylcyclopentane;
Methylcyclopentadienylmanganes Tricarbonyl(MMT);
tricarbonyl(methylcyclopentadienyl)manganese;
Coppercarbonatebasicbluegreenpowder;
copper carbonate (II)-copper hydroxide (II) (1:1);
Copperhydroxidecarbonate;
copper(2+)ato(2-) carbonatato(2-) hydroxido(2-) (2:1:2);
copper dihydroxycopper carbonate;
Copper carbonate basic;
Copper(II) carbonate basic;
Fruitdo;
Milmer;
Milmer 1;
Oxine-copper;
Copper 8-quinolinolate;
copper(2+) 8-hydroxyoctahydro-2H-quinolin-1-ide 8-hydroxy-2H-quinolin-1-ide (1:1:1);
quinolin-8
精确分子量/精确质量：
389.95200
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。
InChI：
The Key: OLWNTZDHHWRPPI-UHFFFAOYSA-L

物化性质展开↓

熔点：
239-243ºC(lit.)
其它信息：

1.       性状：未确定

2.       密度（g/mL,20℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：239-243

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC，1mmHg）：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↓

海关代码：
2903999090
危险类别码：
R15
安全说明：
26-27-36/37/39-45
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。
S27:立刻除去所有污染衣物。
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：
C: Corrosive;

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MSDS 展开↓

Name: Dichlorobis(indenyl)zirconium(IV) Material Safety Data Sheet
Synonym:
CAS: 12148-49-1
Section 1 - Chemical Product   MSDS Name:Dichlorobis(indenyl)zirconium(IV) Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
12148-49-1 Dichlorobis(indenyl)zirconium(IV) unlisted
Hazard Symbols: C
Risk Phrases: 15 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Contact with water liberates extremely flammable gases. Causes burns.Moisture sensitive.Air sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.
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.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
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 not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.
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. Water hydrolyzes material liberating acidic gas which in contact with metal surfaces can generate flammable and/or explosive hydrogen gas.
Extinguishing Media:
DO NOT USE WATER! In case of fire, use carbon dioxide, dry chemical powder or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Isolate area and deny entry.
Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use and store under nitrogen. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Keep away from water. Corrosives area. Store under nitrogen.
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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 12148-49-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 239-243 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C18H14Cl2Zr
Molecular Weight: 392.43
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to air, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases, chemically active metals.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 12148-49-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Dichlorobis(indenyl)zirconium(IV) - 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: Corrosive solid, acidic, organic, n.o.s.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: Corrosive solid, acidic, organic, n.o.s.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 15 Contact with water liberates extremely
flammable gases.
R 34 Causes burns.
Safety Phrases:
S 7/8 Keep container tightly closed and dry.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 12148-49-1: No information available.
Canada
CAS# 12148-49-1 is listed on Canada's NDSL List.
CAS# 12148-49-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 12148-49-1 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2903999090

概述：
2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% 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：389.951958 Da

8、标称质量：390 Da

9、平均质量：392.4338 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:2

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:21

8.表面电荷:0

9.复杂度:87

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:3

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