1-氟-4-羟基-1,4-重氮化二环2.2.2辛烷双(四氟硼酸盐)

1-氟-4-羟基-1,4-重氮化二环2.2.2辛烷双(四氟硼酸盐) 基本信息
CAS号 162241-33-0 分子式 C6H13B2F9N2O
分子量 321.78800 精确质量  322.10700
PSA  20.23000 LogP  2.43850

基本信息 展开↓

CAS号:
162241-33-0
分子式:
C6H13B2F9N2O
分子量:
321.78800
中文名称:
1-氟-4-羟基-1,4-重氮化二环2.2.2辛烷双(四氟硼酸盐)
英文名称:
1-Fluoro-4-Hydroxy-1,4-Diazoniabicyclo[2.2.2]Octane Bis((Tetrafluoroborate)
中文别名:
1-氟-4-羟基-1,4-重氮化二环2.2.2辛烷双(四氟硼酸盐);
1-氟-4-羟基-1,4-重氮化二环2.2.2辛烷双(四氟硼酸盐), CA 45-50% W/W ON ALUMINA;
1-氟-4-羟基-1,4-重氮化二环2.2.2辛烷双(四氟硼酸盐), 约 45-50% W/W 矾土
英文别名:
1-Fluoro-4-Hydroxy-1,4-Diazoniabicyclo[2.2.2]Octane Bis((Tetrafluoroborate);
1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate);
ACCUFLUOR NFTH-AL2O3 BLEND
精确分子量/精确质量:
322.10700
极性分子表面积/PSA:
20.23000
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:
MFCD00467883
EINECS:
418-330-2
BRN:
8369351

物化性质展开↓

熔点:
120(dec.)ºC
存储条件/存储方法:

保存方法:密闭,阴凉,通风干燥处、

稳定性相关:

避氧化物、碱、酸

其它信息:

1.      性状:白色粉末
2.      密度(g/mL,20):3.54
3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):120

5.      沸点(ºC,常压):未确定

6.      沸点(ºC  15mmHg):未确定

7.      折射率:未确定

8.      闪点(ºF):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:部分可溶解于水的

安全信息展开↓

包装等级:
III
海关代码:
2933990090
危险类别码:
R22;R41;R43;R48/22;R50
安全说明:
S26-S36/37/39-S45-S61
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。
:

毒理性展开↓

生态数据:

1、其它有害作用:通常对水是稍微危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: 1-Fluoro-4-hydroxy-1 4-diazabicyclo[2.2.2]octane Material Safety Data Sheet
Synonym:
CAS: 162241-33-0
Section 1 - Chemical Product   MSDS Name:1-Fluoro-4-hydroxy-1 4-diazabicyclo[2.2.2]octane Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
162241-33-0 1-Fluoro-4-hydroxy-1,4-diazabicyclo[2. unlisted
Hazard Symbols: XN
Risk Phrases: 22 41 43 48/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Risk of serious damage to eyes. May cause sensitization by skin contact. Harmful : danger of serious damage to health by prolonged exposure if swallowed.
Potential Health Effects
Eye:
May cause eye irritation and possible damage.
Skin:
May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
Ingestion:
Harmful if swallowed.
Inhalation:
May cause respiratory tract irritation.
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.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Call a poison control center. If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. 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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 162241-33-0: 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: 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:
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 321.79

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents, strong acids, bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 162241-33-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Fluoro-4-hydroxy-1,4-diazabicyclo[2.2.2]octane bis(tetrafluoroborate) - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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 22 Harmful if swallowed.
R 41 Risk of serious damage to eyes.
R 43 May cause sensitization by skin contact.
R 48/22 Harmful : danger of serious damage to health
by prolonged exposure if swallowed.
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.
WGK (Water Danger/Protection)
CAS# 162241-33-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 162241-33-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 162241-33-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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%

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):-0.1

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:

6、   拓扑分子极性表面积(TPSA):20.2

7、   重原子数量:10

8、   表面电荷:2

9、   复杂度:137

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:1

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