4-叔丁基杯[4]芳烃-冠-5-配合物

4-叔丁基杯[4]芳烃-冠-5-配合物 基本信息
CAS号 99314-01-9 分子式 C42H52O5
分子量 636.85900 精确质量  636.38100
PSA  46.15000 LogP  7.74370

基本信息 展开↓

CAS号:
99314-01-9
3D弹球模型:
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分子式:
C42H52O5
分子量:
636.85900
中文名称:
4-叔丁基杯[4]芳烃-冠-5-配合物
英文名称:
4-TERT-BUTYL-CALIX[4]ARENE-CROWN-5-COMPLEX
中文别名:
4-叔丁基杯[4]芳烃-冠-5-配合物;
4-叔丁基杯[4]芳烃-冠醚-5-复合物
英文别名:
4-TERT-BUTYL-CALIX[4]ARENE-CROWN-5-COMPLEX;
4-TERT-BUTYLCALIX(4)-CROWN-5;
25,27-(3,6,9-trioxaundeca-1,11-diyl)oxy-26,28-dihydroxy-5,11,17,23-tetra-tert-butyl-calix[4]arene;
p-tert-butylcalix<4>crown-5;
p-ter-Butylcalix[4]arene-crown-5;
5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-dihydroxycalix[4]arene-crown-5;
5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-(3',6',9'-trioxaundecylene)dioxy-calix<4>arene;
5,11,17,23-Tetrakis(1,1-dimethylethyl)-25,27-(crown-5)-26,28-dihydroxycalix[4]arene;
2,20,25,35-tetrakis(1,1-dimethylethyl)-6,7,9,10,12,13,15,16-octahydro-28H-4,18-(methano<1,3>benzenomethano)-23,27-metheno-22H-dibenzo<1,4,7,10,13>pentaoxycyclotetracosin-29,32-diol
精确分子量/精确质量:
636.38100
极性分子表面积/PSA:
46.15000
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:
MFCD02093903
InChI:
The Key: YSLRFVIIENSTRV-UHFFFAOYSA-N

物化性质展开↓

存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

危险类别码:
R36/37/38
安全说明:
S26-S37/39
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。
:
危险标志:
Xi

合成路线查看所有的合成路线

  • 37860-51-8

    四乙二醇二对甲苯磺酸酯

  • +

  • 157432-87-6

    157432-87-6

  • ~91%

  • 99314-01-9

    4-叔丁基杯[4]芳烃-冠-5-配合物

  • 157432-87-6

    157432-87-6

  • +

  • 36839-56-2

    1-(2-iodoethoxy)-2-[2-(2-iodoethoxy)ethoxy]ethane

  • ~85%

  • 99314-01-9

    4-叔丁基杯[4]芳烃-冠-5-配合物

  • 37860-51-8

    四乙二醇二对甲苯磺酸酯

  • +

  • 73227-34-6

    5,11,17,23-tetra-tertbutyl 25,26,27,28-tetra-hydroxycalix{4}arene*C7H8

  • ~74%

  • 99314-01-9

    4-叔丁基杯[4]芳烃-冠-5-配合物

毒理性展开↓

生态数据:

 

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: 4-Tert.-Butyl-Calix[4]Arene-Crown-5-Complex Material Safety Data Sheet
Synonym: None Known
CAS: 99314-01-9
Section 1 - Chemical Product   MSDS Name:4-Tert.-Butyl-Calix[4]Arene-Crown-5-Complex Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
99314-01-9 4-Tert.-Butyl-Calix[4]Arene-Crown-5-Co 97 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray, dry chemical, carbon dioxide, 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated 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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 99314-01-9: 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 - grey
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Not available.
Specific Gravity/Density:
Molecular Formula: C52H70O7
Molecular Weight: 806.4858

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 99314-01-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Tert.-Butyl-Calix[4]Arene-Crown-5-Complex - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 99314-01-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 99314-01-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 99314-01-9 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

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

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