二壬基萘磺酸

二壬基萘磺酸 基本信息
CAS号 25322-17-2 分子式 C28H44O3S
分子量 460.71200 精确质量  460.30100
PSA  62.75000 LogP  9.75350

基本信息 展开↓

CAS号:
25322-17-2
分子式:
C28H44O3S
分子量:
460.71200
中文名称:
二壬基萘磺酸
英文名称:
Dinonylnaphthalenesulfonic acid
中文别名:
二壬基萘磺酸;
DNNSA;
2,4-Xylenesulfonic Acid;
Dimethylbenzene Sulfonic Acid;
1-methyl-2,4-dinitro-benzene;
Dinitro toluene(mixed);
Diisopropylbenzene;
Polyphenyl sulfide granula;
Reofos507;
Santicizer 154;
trixylyl phosphate, mixture of isomers;
Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-16-methyl-17-(1-oxobutoxy)-, (16-beta)-;
SN 203;
UNII-8U0H6XI6EO;
21-Chloro-9-fluoro-17-hydroxy-16beta-methylpregna-1,4-diene-3,11,20-trione 17-butyrate;
Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-16-methyl-17-(1-oxobutoxy)-, (16beta)-;
Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-17-hydroxy-16-beta-methyl-, butyrate;
(16beta)-21-chloro-9-fluoro-16-methyl-3,11,20-trioxopregna-1,4-dien-17-yl butanoate;
Dralon T;
High Toron BX;
Hypan HN 85;
KCV 3010;
MBR 500;
Microsphere F 80E;
Microza KCV 3010;
NSC 7763;
PAN (VAN);
PAN (polymer);
PAN 1514;
PAN 17DX;
PAN 200;
PAN 20CX2;
PAN 70;
PAN 7A;
Pan-A 425;
Pan-CX2;
Parex 4205;
Poly(acrylonitrile), fibers;
Polynac;
Romarcril FR;
SEPA RG 03;
Solrox;
Stork 3010;
Stork 5010;
T 75;
T 75 (acrylic polymer);
Taftic A 20;
T
英文别名:
Dinonylnaphthalenesulfonic acid;
dinonyl-naphthalenesulfonicaci;
DINONYLNAPHTHALENESULFONIC ACID,50 WT.;
DNNSA (DINONYLNAPHTHALENESULFONIC);
Napththalenesulfonicacid;
Naphthalenesulfonic acid,dinonyl;
DNNSA;
dinonylnaphthalenesulfonic acid sol.;
dinonylnaphthalenesulphonic acid
精确分子量/精确质量:
460.30100
极性分子表面积/PSA:
62.75000
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:
MFCD00014324
EINECS:
246-841-9
PubChem:
24874288
InChI:
InChI=1/C28H44O3S/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31)

生产制备方法及用途展开↓

制备方法


是一种阳离子型表面活性剂,可作涂料用催化剂,也可作为生产氨基烤漆降温催化剂(封闭型、非封闭型)的原料

用途简介


用途


是一种阳离子型表面活性剂,可作涂料用催化剂,也可作为生产氨基烤漆降温催化剂(封闭型、非封闭型)的原料

物化性质展开↓

密度:
0.852 g/mL at 25 °C
熔点:
259.5ºC
沸点:
94-99 °C
闪点:
30 °F
折射率:
n20/D 1.465
存储条件/存储方法:

 

 密闭于2-8ºC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:无可用

2.       密度(g/mL,25/4):0.852

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):94-99

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.465

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

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:不溶于水

安全信息展开↓

包装等级:
III
风险类别:
8
海关代码:
3402120000
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R11;R38;R50/53;R65;R67
安全说明:
S9-S16-S29-S33-S60-S61-S62
安全标志:
S9:保持容器在一个有良好通风放的场所。
S16:远离火源。
S29:不要将残余物倾入排水口。
S33:采取防护措施防止静电发生。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
S62:如果不慎吞咽,不要催吐;立刻找医生诊治并出示产品容器或标签。
危险标志:
F:Flammable;Xn:Harmful;N:Dangerousfortheenvironment;

毒理性展开↓

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。

MSDS 展开↓

    Version 1.5
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        DINONYLNAPHTHALENESULFONIC ACID, 50    
    WT. % SOLUTION IN HEPTANE

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Highly flammable. Irritating to skin. Very toxic to aquatic
    organisms, may cause long-term adverse effects in the aquatic
    environment. Harmful: may cause lung damage if swallowed. Vapors
    may cause drowsiness and dizziness.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    DINONYLNAPHTHALENESULFONIC ACID None        None        None    
    SOLUTION, ~50% IN HEPTANE
    Ingredient Name        Percent        CAS #        EC no        Annex I    
    Index Number
    DINONYLNAPHTHALENESULFONI50        25322-17-2 246-841-9 None    
    C ACID
    HEPTANE        50 142-82-5 205-563-8 601-008-00-2    
    Symbols: F-Xn-N
    R-Phrases: 11-38-50/53-65-67
    Highly flammable. Irritating to skin. Very toxic to aquatic
    organisms, may cause long-term adverse effects in the aquatic
    environment. Harmful: may cause lung damage if swallowed. Vapors
    may cause drowsiness and dizziness.
    Formula        C28H44O3S    
    Molecular Weight 460,7000 AMU

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    ALDRICH        www.molbase.com    
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER SKIN CONTACT
    In case of contact, immediately wash skin with soap and copious
    amounts of water.
    AFTER EYE CONTACT
    In case of contact, immediately flush eyes with copious amounts
    of water for at least 15 minutes.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    Suitable: For small (incipient) fires, use media such as
    "alcohol" foam, dry chemical, or carbon dioxide. For large
    fires, apply water from as far as possible. Use very large
    quantities (flooding) of water applied as a mist or spray; solid
    streams of water may be ineffective. Cool all affected
    containers with flooding quantities of water.
    SPECIAL RISKS
    Specific Hazard(s): Flammable liquid. Emits toxic fumes under
    fire conditions.
    Explosion Hazards: Vapor may travel considerable distance to
    source of ignition and flash back. Container explosion may occur
    under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.

    6 - Accidental Release Measures

    PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
    Evacuate area. Shut off all sources of ignition.
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear respirator, chemical safety goggles, rubber boots, and
    heavy rubber gloves.
    METHODS FOR CLEANING UP
    Cover with dry-lime, sand, or soda ash. Place in covered
    containers using non-sparking tools and transport outdoors.
    Ventilate area and wash spill site after material pickup is
    complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Avoid breathing vapor. Avoid
    contact with eyes, skin, and clothing. Avoid prolonged or
    repeated exposure.
    STORAGE
    Conditions of Storage: Keep container closed. Keep away from
    heat, sparks, and open flame.
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    Store at 2-8°C

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Safety shower and eye bath. Use nonsparking tools. Mechanical
    exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling. Wash contaminated clothing before
    reuse.
    EXPOSURE LIMITS
    Country        Source        Type        Value    
    Poland        NDS        1200 MG/M3    
    Poland        NDSCh        2000 MG/M3    
    Poland        NDSP        -    
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Where risk assessment shows air-purifying respirators
    are appropriate use a full-face respirator with multi-purpose
    combination (US) or type ABEK (EN 14387) respirator cartridges as
    a backup to engineering controls. If the respirator is the sole
    means of protection, use a full-face supplied air respirator.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.

    9 - Physical and Chemical Properties

    Appearance        Physical State: Clear liquid    
    Color: Very deep brown
    Property        Value        At Temperature or Pressure    
    pH        N/A    
    BP/BP Range        94,000. - 99,000 °C.760,000 mmHg    
    MP/MP Range        N/A    
    Flash Point        - 1,110 °C.        Method: closed cup    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties        N/A    
    Explosive Properties        N/A    
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    SG/Density        0,7800 g/cm3    
    Partition Coefficient        N/A    
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc.        N/A    
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    ALDRICH        www.molbase.com    
    Solubility        N/A    

    10 - Stability and Reactivity

    STABILITY
    Stable: Stable.
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Sulfur oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    11 - Toxicological Information

    SIGNS AND SYMPTOMS OF EXPOSURE
    Damage to the lungs. Narcotic effect. CNS depression. Prolonged
    or repeated exposure to skin causes defatting and dermatitis.
    ROUTE OF EXPOSURE
    Skin Contact: Causes skin irritation.
    Skin Absorption: May be harmful if absorbed through the skin.
    Eye Contact: May cause eye irritation.
    Inhalation: Material may be irritating to mucous membranes and
    upper respiratory tract. May be harmful if inhaled.
    Ingestion: May be harmful if swallowed.
    TARGET ORGAN INFORMATION
    Ears. Lungs. Heart. Central nervous system.
    CHRONIC EXPOSURE - CARCINOGEN
    Result: This product is or contains a component that is not
    classifiable as to its carcinogenicity based on its IARC, ACGIH,
    NTP, or EPA classification.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    Contact a licensed professional waste disposal service to dispose
    of this material. Burn in a chemical incinerator equipped with an
    afterburner and scrubber but exert extra care in igniting as this
    material is highly flammable. Observe all federal, state, and
    local environmental regulations.

    14 - Transport Information

    RID/ADR
    UN#: 2924
    Class: 3
    PG: II
    Subrisk: 8
    Proper Shipping Name: Flammable liquid, corrosive,
    n.o.s.
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    IMDG
    UN#: 2924
    Class: 3
    PG: II
    Subrisk: 8
    Proper Shipping Name: FLAMMABLE LIQUID, CORROSIVE,
    N.O.S.
    Marine Pollutant: No
    Severe Marine Pollutant: No
    Technical Name: Required
    IATA
    UN#: 2924
    Class: 3
    PG: II
    Subrisk: 8
    Proper Shipping Name: Flammable liquid, corrosive,
    n.o.s.
    Inhalation Packing Group I: No
    Technical Name: Required

    15 - Regulatory Information

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    INDICATION OF DANGER: F-Xn-N
    Highly Flammable. Harmful. Dangerous for the environment.
    R-PHRASES: 11-38-50/53-65-67
    Highly flammable. Irritating to skin. Very toxic to aquatic
    organisms, may cause long-term adverse effects in the aquatic
    environment. Harmful: may cause lung damage if swallowed.
    Vapors may cause drowsiness and dizziness.
    S-PHRASES: 9-16-29-33-60-61-62
    Keep container in a well-ventilated place. Keep away from
    sources of ignition - no smoking. Do not empty into drains.
    Take precautionary measures against static discharges. This
    material and its container must be disposed of as hazardous
    waste. Avoid release to the environment. Refer to special
    instructions/safety data sheets. If swallowed, do not induce
    vomiting: seek medical advice immediately and show this
    container or label.
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 1
    Self-Classification

    16 - Other Information

    WARRANTY
    The above information is believed to be correct but does not
    purport to be all inclusive and shall be used only as a guide. The
    information in this document is based on the present state of our
    knowledge and is applicable to the product with regard to
    appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Inc.,
    shall not be held liable for any damage resulting from handling or
    from contact with the above product. See reverse side of invoice
    or packing slip for additional terms and conditions of sale.
    Copyright 2010 Co. License granted to make
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    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.
    ALDRICH        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:无可用

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

计算化学数据


1.疏水参数计算参考值(XlogP):11.1

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:17

5.互变异构体数量:无

6.拓扑分子极性表面积62.8

7.重原子数量:32

8.表面电荷:0

9.复杂度:568

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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