(R)-(-)-3-奎宁醇; (R)-奎宁环-3-醇; (R)-(-)-1-氮杂双环[2.2.2]辛-3-醇

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

(R)-(-)-3-奎宁醇; (R)-奎宁环-3-醇; (R)-(-)-1-氮杂双环[2.2.2]辛-3-醇 基本信息

中文名称:
(R)-(-)-3-奎宁醇; (R)-奎宁环-3-醇; (R)-(-)-1-氮杂双环[2.2.2]辛-3-醇 
中文别名:
(R)-(-)-3-奎宁醇;
(R)-(-)-喹宁环-3-醇 
英文名称:
(R)-(-)-3-Quinuclidinol
英文别名:
(3R)-1-azabicyclo[2.2.2]octan-3-ol;
dl-3-Quinuclidinol;
3-Quinuclidinol l-form;
(R)-(-)-3-Quinuclidinol 
CAS No.:
25333-42-0
分 子 式:
C7H13NO
分 子 量:
127.18
精确分子量:
127.10000
PSA:
23.47000
MDL:
MFCD00211251
EINECS:
246-857-6
InChI:
InChI=1/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m0/s1
危险品标志:
风险术语:
R11;R34   
安全术语:
S16;S26;S36/37/39;S45
分子结构式:
SDS:
查看

(R)-(-)-3-奎宁醇; (R)-奎宁环-3-醇; (R)-(-)-1-氮杂双环[2.2.2]辛-3-醇 制备方法及用途

制备方法

索非那新中间体。

用途简介

(R)-(-)-3-奎宁醇; (R)-奎宁环-3-醇; (R)-(-)-1-氮杂双环[2.2.2]辛-3-醇 物化性质

外观与性状:
白色-米色粉末
密度:
1.13g/cm3
熔点:
217-224ºC
沸点:
120ºC (27 mmHg)
闪点:
97.7°C
水溶解性:
100 g/100 mL
折射率:
1.549
蒸汽压:
0.0545mmHg 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):217-224

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):-44.5

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):0.055

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:可溶于水

(R)-(-)-3-奎宁醇; (R)-奎宁环-3-醇; (R)-(-)-1-氮杂双环[2.2.2]辛-3-醇 安全信息

海关代码:
2933990090
危险类别码:
R11;R34
安全说明:
S16-S26-S36/37/39-S45
安全标志:
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
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

(R)-(-)-3-奎宁醇; (R)-奎宁环-3-醇; (R)-(-)-1-氮杂双环[2.2.2]辛-3-醇 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。

(R)-(-)-3-奎宁醇; (R)-奎宁环-3-醇; (R)-(-)-1-氮杂双环[2.2.2]辛-3-醇 MSDS

Name: (R)-(-)-3-Quinuclidinol 99+% (GC) Material Safety Data Sheet
Synonym: (R)-(-)-1-Azabicyclo[2.2.2]Octan-3-Ol; (R)-(-)-3-Hydroxyquinuclidine
CAS: 25333-42-0
Section 1 - Chemical Product   MSDS Name:(R)-(-)-3-Quinuclidinol 99+% (GC) Material Safety Data Sheet
Synonym:(R)-(-)-1-Azabicyclo[2.2.2]Octan-3-Ol; (R)-(-)-3-Hydroxyquinuclidine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
25333-42-0 (R)-(-)-3-Quinuclidinol 99+% 246-857-6
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: 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.
Notes to Physician:

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:
Use agent most appropriate to extinguish fire. 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:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
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# 25333-42-0: 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:
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: Powder
Color: white - beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 120 deg C @ 27.00mb
Freezing/Melting Point: 217 - 220 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: 1
Decomposition Temperature:
Solubility in water: 100g/100ml water
Specific Gravity/Density:
Molecular Formula: C7H13NO
Molecular Weight: 127.19

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:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 25333-42-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(R)-(-)-3-Quinuclidinol - 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
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 25333-42-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 25333-42-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 25333-42-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

(R)-(-)-3-奎宁醇; (R)-奎宁环-3-醇; (R)-(-)-1-氮杂双环[2.2.2]辛-3-醇 海关数据

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

(R)-(-)-3-奎宁醇; (R)-奎宁环-3-醇; (R)-(-)-1-氮杂双环[2.2.2]辛-3-醇 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:35.73

2   摩尔体积m3/mol112.2

3   等张比容(90.2K):290.5

4   表面张力dyne/cm44.8

5   极化率10-24cm314.16

计算化学数据

1.疏水参数计算参考值(XlogP):0.2

2.氢键供体数量:1

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23.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:108

10.同位素原子数量:0

11.确定原子立构中心数量:1

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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