苄基三丁基氯化铵

苄基三丁基氯化铵 基本信息
CAS号 23616-79-7 分子式 C19H34ClN
分子量 311.93300 精确质量  311.23800
PSA  0.00000 LogP  2.40770

基本信息 展开↓

CAS号:
23616-79-7
3D弹球模型:
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分子式:
C19H34ClN
分子量:
311.93300
中文名称:
苄基三丁基氯化铵
英文名称:
benzyl(tributyl)azanium,chloride
中文别名:
苄基三丁基氯化铵;
苄基三正丁基氯化铵;
苄基三-N-丁基氯化铵;
氯化苄基三丁基銨;
氯化三丁基苄基铵
英文别名:
benzyl(tributyl)azanium,chloride;
N-Benzyl-N,N-dibutylbutan-1-aminium chloride;
Benzyltri-n-butylammonium chloride;
BTBAC;
Benzyltributylammonium chloride;
Benzenemethanaminium,N,N,N-tributyl-,chloride;
tributylbenzylammonium chloride
精确分子量/精确质量:
311.23800
极性分子表面积/PSA:
0.00000
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:
MFCD00011849
EINECS:
245-787-3
BRN:
3776210
InChI:
InChI=1/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1

生产制备方法及用途展开↓

制备方法


相转移催化剂。

用途简介


物化性质展开↓

外观与性状:
白色至淡黄色晶体
熔点:
155-163 °C(lit.)
水溶解性:
soluble
存储条件/存储方法:

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

如果遵照规格使用和储存则不会分解

避免接触氧化物

其它信息:

1.       性状:白色晶体状粉末

2.       密度(g/mL,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):156-162

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,20ºC):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↓

海关代码:
29239000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22;R36/37/38
安全说明:
S26-S36-S37/39-S45-S36/37/39
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。
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:
Xn:Harmful

合成路线查看所有的合成路线

  • 25316-59-0

    苄基三丁基溴化铵

  • 23616-79-7

    苄基三丁基氯化铵

  • 102-82-9

    三正丁胺

  • +

  • 100-44-7

    苄基氯

  • 23616-79-7

    苄基三丁基氯化铵

化学图谱

  1. 苄基三正丁基氯化铵红外图谱(IR1)

  2. 苄基三正丁基氯化铵红外图谱(IR2)

  3. 苄基三正丁基氯化铵质谱(MS)

  4. 苄基三正丁基氯化铵核磁图(13CNMR)

  5. 苄基三正丁基氯化铵核磁图(1HNMR)

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毒理性展开↓

毒理学数据:

在眼睛上面:强烈的刺激性和造成严重伤害眼睛的危险。

在皮肤上面:刺激皮肤和粘膜。

生态数据:

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: Benzyltributylammonium chloride 98+% Material Safety Data Sheet
Synonym: BTBAC
CAS: 23616-79-7
Section 1 - Chemical Product   MSDS Name:Benzyltributylammonium chloride 98+% Material Safety Data Sheet
Synonym:BTBAC

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
23616-79-7 Benzyltributylammonium chloride >98 245-787-3
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation.
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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:
Antidote: None reported.

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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
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. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid breathing dust.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

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# 23616-79-7: 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:
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: Crystalline powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 155-163 deg C (dec)
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature: 155-163 deg C
Solubility in water: soluble in water
Specific Gravity/Density:
Molecular Formula: C19H34ClN
Molecular Weight: 311.94

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, moisture.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 23616-79-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzyltributylammonium chloride - 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: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 23616-79-7: No information available.
Canada
CAS# 23616-79-7 is listed on Canada's NDSL List.
CAS# 23616-79-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 23616-79-7 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):无

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:11

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:21

8.表面电荷:0

9.复杂度:196

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:2

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