4-叔丁基杯[4]芳烃-冠-4-复合体,171058-95-0，生产厂家，价格-洛克化工网移动版

4-叔丁基杯[4]芳烃-冠-4-复合体

中文名称：: 4-叔丁基杯[4]芳烃-冠-4-复合体

中文别名：: 4-叔丁基杯[4]芳烃-冠-4-复合体;
4-叔丁基杯[4]芳烃-冠醚-4-复合物

英文名称：: 25H-4,15-(Methano[1,3]benzenomethano)-20,24-metheno-19H-dibenzo[k,t][1,4,7,10]tetraoxacycloheneicosin-26,29-diol,2,17,22,32-tetrakis(1,1-dimethylethyl)-6,7,9,10,12,13-hexahydro-

英文别名：: 4-TERT-BUTYL-CALIX[4]ARENE-CROWN-4-COMPLEX;
4-TERT-BUTYLCALIX(4)-CROWN-4;
25,27-(3,6-dioxaocta-1,8-diyl)oxy-26,28-dihydroxy-5,11,17,23-tetra-tert-butyl-calix[4]arene;
p-tert-butylcalix[4]crown-4;
5,11,17,23-Tetrakis(1,1-dimethyl)-25,26-dihydroxy-27,28-crown-4-calix[4]arene;
5,11,17,23-Tetrakis(1,1-dimethylethyl)-25,27-(crown-4)-26,28-dihydroxycalix[4]arene;
p-t-butylcalix[4]crown-4

CAS No.：: 171058-95-0

分子式：: C₅₀H₆₆O₆

分子量：: 592.81

精确分子量：: 592.35500

PSA：: 36.92000

MDL：: MFCD02093902

InChI：: The Key: RCERBHWPEFMVHU-UHFFFAOYSA-N3

风险术语：: R36/37/38

安全术语：: S26 S37/S39

分子结构式：

SDS：: 查看

4-叔丁基杯[4]芳烃-冠-4-复合体物化性质

密度：: 1.069g/cm3
沸点：: 766.4ºC at 760 mmHg
闪点：: 417.3ºC
折射率：: 1.548
蒸汽压：: 2.48E-24mmHg at 25°C
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：白色结晶性粉末

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

4-叔丁基杯[4]芳烃-冠-4-复合体安全信息

危险类别码：: R36/37/38
安全说明：: S26-S37-S39
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

4-叔丁基杯[4]芳烃-冠-4-复合体毒理性

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

4-叔丁基杯[4]芳烃-冠-4-复合体 MSDS

Name:	4-Tert.-Butyl-Calix[4]arene-Crown-4-Complex Material Safety Data Sheet
Synonym:	None Known
CAS:	171058-95-0

Section 1 - Chemical Product MSDS Name:4-Tert.-Butyl-Calix[4]arene-Crown-4-Complex Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
171058-95-0	4-Tert.-Butyl-Calix[4]arene-Crown-4-Co	98	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# 171058-95-0: 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: Crystalline powder
Color: fine - white to almost white
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: C50H66O6
Molecular Weight: 762.4584

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:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 171058-95-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Tert.-Butyl-Calix[4]arene-Crown-4-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# 171058-95-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 171058-95-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 171058-95-0 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

4-叔丁基杯[4]芳烃-冠-4-复合体分子结构与计算化学数据

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

计算化学数据

1、疏水参数计算参考值（XlogP）：13.1

2、氢键供体数量：2

3、氢键受体数量：6

4、可旋转化学键数量：4

5、拓扑分子极性表面积（TPSA）：77.4

6、重原子数量：56

7、表面电荷：0

8、复杂度：1080

9、同位素原子数量：0

10、确定原子立构中心数量：0

11、不确定原子立构中心数量：0

12、确定化学键立构中心数量：0

13、不确定化学键立构中心数量：0

14、共价键单元数量：1

4-叔丁基杯[4]芳烃-冠-4-复合体上游产品

三乙烯基二醇 25-(1-chloro-3,6-dioxaoct-8-yl)oxy-26,27,28-trihydroxy-5,11,17,23-tetra-tert-butyl-calix[4]arene 三乙二醇