氯铱酸

氯铱酸 基本信息
CAS号 16941-92-7 分子式 Cl6H14IrO6
分子量 515.04300 精确质量  512.85500
PSA  55.38000 LogP  3.97620

基本信息 展开↓

CAS号:
16941-92-7
分子式:
Cl6H14IrO6
分子量:
515.04300
中文名称:
氯铱酸
英文名称:
Hydrogen hexachloroiridate(IV) hexahydrate
中文别名:
氯铱酸;
氯铱酸水合物;
氯铱酸(六水)
英文别名:
Hydrogen hexachloroiridate(IV) hexahydrate;
Hexachloroiridic acid hexahydrate;
Iridium(IV) chloride dihydrochloride;
Hexachloroiridium Acid Hydrate
精确分子量/精确质量:
512.85500
极性分子表面积/PSA:
55.38000
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。
EINECS:
241-012-8
InChI:
InChI=1/6ClH.Ir/h6*1H;/q;;;;;;+4/p-4/rCl4Ir.2ClH/c1-5(2,3)4;;/h;2*1H

物化性质展开↓

外观与性状:
黑色晶体
密度:
1.02
熔点:
65°C
其它信息:

1. 性状:未确定

2. 密度(g/mL,25/4):1.02

3. 相对蒸汽密度(g/mL,空气=1未确定

4. 熔点(ºC):65

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:
III
风险类别:
8
危险类别码:
R20/21/22;R34;R40
安全说明:
S22-S26-S27-S36/37/39-S45
安全标志:
S22:不要吸入粉尘。
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;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NO3592500
CHEMICAL NAME :
Iridate(2-), hexachloro-, dihydrogen, (OC-6-11)-
CAS REGISTRY NUMBER :
16941-92-7
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
Cl6-Ir.2H
MOLECULAR WEIGHT :
406.92
WISWESSER LINE NOTATION :
H2 IR-G6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
118 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 256,1043,1963
毒理学数据:

急性毒性:大鼠腹腔LD50:118 mg/kg

MSDS 展开↓

Name: Hydrogen hexachloroiridate(IV) hexahydrate approx. 40% Iridium Material Safety Data Sheet
Synonym: Chloriridic acid; Hexachloroiridic acid; Hydrogen hexachloroiridate(4+); Iridate(2-), hexachloro-, dihydrogen,; Iridate(2-), hexachloro-, dihydrogen, (OC-6-11)
CAS: 16941-92-7
Section 1 - Chemical Product   MSDS Name:Hydrogen hexachloroiridate(IV) hexahydrate approx. 40% Iridium Material Safety Data Sheet
Synonym:Chloriridic acid; Hexachloroiridic acid; Hydrogen hexachloroiridate(4+); Iridate(2-), hexachloro-, dihydrogen,; Iridate(2-), hexachloro-, dihydrogen, (OC-6-11)

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
16941-92-7 Hydrogen hexachloroiridate(IV) hexahyd ca. 100 241-012-8
Hazard Symbols: XN
Risk Phrases: 36/37/38 40

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Limited evidence of a carcinogenic effect.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, or carbon dioxide. Do NOT get water inside containers.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Avoid ingestion and inhalation. Use with adequate ventilation.
Use only in a chemical fume hood.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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# 16941-92-7: 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: Crystals
Color: black
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: H2IrCl6.6H2O
Molecular Weight: 515.02

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, water, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 16941-92-7: NO3592500 LD50/LC50:
Not available.
Carcinogenicity:
Hydrogen hexachloroiridate(IV) hexahydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
R 40 Limited evidence of a carcinogenic effect.
Safety Phrases:
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# 16941-92-7: No information available.
Canada
CAS# 16941-92-7 is listed on Canada's DSL List.
CAS# 16941-92-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16941-92-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1、 疏水参数计算参考值(XlogP:

2、 氢键供体数量:2

3、 氢键受体数量:0

4、 可旋转化学键数量:0

5、 互变异构体数量:

6、 拓扑分子极性表面积(TPSA;0

7、 重原子数量:7

8、 表面电荷:0

9、 复杂度:19.1

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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