苄基三乙基氢氧化铵

苄基三乙基氢氧化铵 基本信息
CAS号 1836-42-6 分子式 C13H23NO
分子量 209.32800 精确质量 　209.17800
PSA 　23.06000 LogP 　2.88630
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目录
基本信息 物化性质 安全信息 化学图谱 毒性 MSDS 海关数据 结构与计算数据

基本信息 展开↓

CAS号：
1836-42-6
分子式：
C13H23NO
分子量：
209.32800
中文名称：
苄基三乙基氢氧化铵
英文名称：
benzyl(triethyl)azanium,hydroxide
中文别名：
苄基三乙基氢氧化铵;
氢氧化苄基三乙基铵;
三乙基苄基氫氧化胺
英文别名：
benzyl(triethyl)azanium,hydroxide;
triethylbenzylammonium hydroxyde;
N,N,N-Triethylbenzenemethanaminium hydroxide;
Triaethyl-benzyl-ammonium,Hydroxid;
n-benzyl-n,n-diethylethanaminium hydroxide;
Ammonium,triethylbenzyl-,hydroxide;
benzyl triethyl ammonium hydroxide;
Benzyltriethylammonium Hydroxide;
EINECS 217-402-9;
triethyl-benzyl-ammonium,hydroxide
精确分子量/精确质量：
209.17800
极性分子表面积/PSA：
23.06000
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：
MFCD00040488
EINECS：
217-402-9
BRN：
3737942
InChI：
InChI=1/C13H22N.H2O/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H2/q+1;/p-1

物化性质展开↓

密度：
0,92 g/cm3
闪点：
26°C
折射率：
1.4230
存储条件/存储方法：

保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

 

稳定性相关：

如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

        

其它信息：

1.       性状：未确定

2.       密度（g/mL,25ºC）：0.92

3.       相对蒸汽密度（g/mL,空气=1）： 未确定

4.       熔点（ºC）：未确定

5.       沸点（ºC）：未确定

6.       沸点（ºC，15mmHg）：未确定

7.       折射率：1.4230

8.       闪点（°C）：26

9.       比旋光度（ºC）：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：未确定

安全信息展开↓

包装等级：
II
风险类别：
3
海关代码：
2923900090
危险类别码：
R10;R23/25;R34
安全说明：
S16-S26-S36/37/39-S45
RTECS号：
BS9625000

化学图谱

  1. 苄基三乙基氢氧化铵红外图谱(IR1)

  2. 苄基三乙基氢氧化铵质谱(MS)

  3. 苄基三乙基氢氧化铵Raman光谱

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BS9625000
CHEMICAL NAME :
Ammonium, triethylbenzyl-, hydroxide
CAS REGISTRY NUMBER :
1836-42-6
LAST UPDATED :
199207
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H22-N.H-O
MOLECULAR WEIGHT :
209.37
WISWESSER LINE NOTATION :
2K2&2&1R &Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 28,367,1926
毒理学数据：

1、   急性毒性：小鼠经皮下LDLo： 160mg/kg；

生态数据：

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

  Benzyltriethylammonium Hydroxide (10% in Water)      Revision number: 1    
  SAFETY DATA SHEET
Section 1. BASE INFORMATION
  Product name:        Benzyltriethylammonium Hydroxide (10% in Water)    

  Revision number:        1    
Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
    Category 1C
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 1    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statement        Causes severe skin burns and eye damage    
  Precautionary statements
  [Prevention]        Do not breathe.    
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Store locked up.
  [Storage]
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Mixture    
  Component(s):        Benzyltriethylammonium Hydroxide (10% in Water)    
    ....
  Percent:
  CAS Number:        1836-42-6    
  Chemical Formula:        C13H23NO    
  Benzyltriethylammonium Hydroxide (10% in
  Water)
Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT    
    induce vomiting.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to    
    generate poisonous fume.
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing    
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:
Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (self-contained breathing apparatus). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.
Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapor or mist. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapor or aerosol
    will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.    
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection:        Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied    
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
  Hand protection:        Impervious gloves.    
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Benzyltriethylammonium Hydroxide (10% in
  Water)
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
    clear
  Form:
  Color:        Colorless - Almost colorless    
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling Point/Range:        No data available    
  Flash Point:        No data available    
  Explosive limits
    No data available
  Lower:
  Upper:        No data available    
  Density:        1.02    
  Solubility:        No data available    
Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  Products:
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        scu-mus LDLo:160 mg/kg    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:
  RTECS Number:        BS9625000    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):
Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. Observe all federal, state and local
    regulations when disposing of the substance.
Section 14. TRANSPORT INFORMATION
  Hazards Class:        8: Corrosive.    
  Benzyltriethylammonium Hydroxide (10% in
  Water)
Section 14. TRANSPORT INFORMATION
  UN-No:        3267    
  Proper shipping name:        Corrosive liquid, basic, organic, n.o.s.    
  Packing group:        III    
Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2923900090

概述：
2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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）:无

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积1

7.重原子数量:15

8.表面电荷:0

9.复杂度:135

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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