2-溴-1,3-二乙基苯

2-溴-1,3-二乙基苯 基本信息
CAS号 64919-15-9 分子式 C14H27ClO2
分子量 262.81600 精确质量  262.17000
PSA  26.30000 LogP  4.68930

基本信息 展开↓

CAS号:
64919-15-9
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分子式:
C14H27ClO2
分子量:
262.81600
中文名称:
2-溴-1,3-二乙基苯
英文名称:
2-Chloroethyl Laurate
中文别名:
2-溴-1,3-二乙基苯;
月桂酸2-氯乙酯;
月桂酸(2-氯乙基)酯
英文别名:
2-Chloroethyl Laurate;
2-chloroethyl dodecanoate
精确分子量/精确质量:
262.17000
极性分子表面积/PSA:
26.30000
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。
InChI:
The Key: PPRUSMUBWUQYRY-UHFFFAOYSA-N

物化性质展开↓

密度:
0.96
沸点:
187ºC / 10mmHg
闪点:
156.6ºC
折射率:
1.448
其它信息:

1.       性状:。

2.       密度(g/mL,25/4):

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,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,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:。

 

安全信息展开↓

海关代码:
2915900090

合成路线查看所有的合成路线

  • 71071-51-7

    2,2,2-三氯月桂酸乙酯

  • ~96%

  • 64919-15-9

    2-溴-1,3-二乙基苯

  • 143-07-7

    月桂酸

  • +

  • 107-07-3

    2-氯乙醇

  • ~91%

  • 64919-15-9

    2-溴-1,3-二乙基苯

  • 112-16-3

    月桂酰氯

  • +

  • 107-07-3

    2-氯乙醇

  • 64919-15-9

    2-溴-1,3-二乙基苯

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name 2-Chloroethyl Laurate
    Portland OR
    Synonym        Dodecanoic acid, 2-chloroethyl ester (CA INDEX    
    NAME);
    Lauric Acid 2-Chloroethyl Ester
    Chemical Formula        C14H27ClO    
    CAS Number        64919-15-9    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    2-Chloroethyl Laurate        64919-15-9 Min. 95.0 (GC) Not available.        Not available.    

Section III. Hazards Identification
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Health Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Not available.
    Flammability        May be combustible at high temperature.        Auto-Ignition    
    Flash Points        Not available.        Flammable Limits        Not available.    
    Combustion Products        These products are toxic carbon oxides (CO, CO2), halogenated compounds.    
    WARNING: Highly toxic HCl gas is produced during combustion.
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    2-Chloroethyl Laurate

Section VI.        Accidental Release Measures    
    Spill Cleanup        Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by rinsing    
    any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    Instructions
    disposal.

Section VII. Handling and Storage
    Handling and Storage        Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool    
    place. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
    Engineering Controls
    threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    Personal Protection
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Liquid. (Clear, colorless.)        Solubility    
    Physical state @ 20°C        Not available.    
    0.96 (water=1)
    Specific Gravity
    262.82
    Molecular Weight        Partition Coefficient        Not available.    
    Boiling Point        187°C (368.6°F) @ 10 mmHg        Vapor Pressure        Not available.    
    Not available.        Not available.    
    Melting Point        Vapor Density    
    1.45        Volatility        Not available.    
    Refractive Index
    Not available.
    Critical Temperature        Not available.        Odor    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    Not available.
    RTECS Number
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Not available.
    Toxicity Data
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Toxic Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
    compound.

Section XII.        Ecological Information    
    Not available.
    Ecotoxicity
    Environmental Fate        Not available.    
    Continued on Next Page
    2-Chloroethyl Laurate

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a    
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    Not a DOT controlled material (United States).
    DOT Classification
    PIN Number        Not applicable.    
    Proper Shipping Name        Not applicable.    
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not controlled under WHMIS (Canada).    
    (Canada)
    EINECS Number (EEC)        Not available.    
    EEC Risk Statements        Not available.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2915900090

概述:
2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:73.53

2、   摩尔体积(m3/mol):274.4

3、   等张比容(90.2K):652.3

4、   表面张力(dyne/cm):31.8

5、   极化率10-24cm3):29.15

计算化学数据


1.疏水参数计算参考值(XlogP):5.9

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:13

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:17

8.表面电荷:0

9.复杂度:172

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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