2-(1-萘基)乙烷磺酰氯

2-(1-萘基)乙烷磺酰氯 基本信息
CAS号 104296-63-1 分子式 C12H11ClO2S
分子量 254.73300 精确质量  254.01700
PSA  42.52000 LogP  4.03170

基本信息 展开↓

CAS号:
104296-63-1
3D弹球模型:
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分子式:
C12H11ClO2S
分子量:
254.73300
中文名称:
2-(1-萘基)乙烷磺酰氯
英文名称:
2-(1-Naphthyl)ethanesulfonyl Chloride
中文别名:
2-(1-萘基)乙烷磺酰氯;
2-(1-萘基)乙基磺酰氯
英文别名:
2-(1-Naphthyl)ethanesulfonyl Chloride;
2-naphthalen-1-ylethanesulfonyl chloride;
2-(Naphthalen-1-yl)ethanesulfonyl chloride;
2-(1-Naphthyl)ethylsulfonyl Chloride
精确分子量/精确质量:
254.01700
极性分子表面积/PSA:
42.52000
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:
InChI=1/C12H11ClO2S/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2

物化性质展开↓

密度:
1.349g/cm3
熔点:
50ºC
沸点:
399.359ºC at 760 mmHg
闪点:
195.325ºC
折射率:
1.631
蒸汽压:
0mmHg at 25°C
其它信息:

 

安全信息展开↓

海关代码:
2904909090
危险类别码:
R34
安全说明:
S26
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。
:

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name 2-(1-Naphthyl)ethanesulfonyl Chloride
    Portland OR
    1-Naphthaleneethanesulfonyl Chloride
    Synonym
    C12H11ClO2S
    Chemical Formula
    CAS Number        104296-63-1    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    2-(1-Naphthyl)ethanesulfonyl Chloride        104296-63-1        Min. 97.0 Not available.        Not available.    
    (Tit.)

Section III. Hazards Identification
    Acute Health Effects        Corrosive to skin, eyes, and respiratory system. Liquid or spray mist may produce tissue damage, particularly in mucous    
    membranes of the eyes, mouth and respiratory tract. Skin contact may produce burns. Eye contact can result in corneal
    damage or blindness. Inhalation of the spray mist may produce severe irritation of respiratory tract, characterized by
    coughing, choking, or shortness of breath. Corrosive materials may cause serious injury if ingested.
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Follow safe industrial hygiene practices and always 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 exposure of the eyes to a low level of dust can produce eye irritation. Repeated skin exposure can produce
    local skin destruction, or dermatitis. Repeated inhalation of dust can produce varying degree of respiratory irritation or
    lung damage.

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        DO NOT INDUCE VOMITING. 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    
    Auto-Ignition        Not available.    
    Flammability        May be combustible at high temperature.    
    Flash Points        Flammable Limits        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO2), sulfur oxides (SOx), halogenated compounds.    
    WARNING: Highly toxic HCl gas is produced during combustion.
    Fire Hazards
    Not available.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    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-(1-Naphthyl)ethanesulfonyl Chloride

Section VI.        Accidental Release Measures    
    Spill Cleanup        Corrosive material. Harmful material.    
    Stop leak if without risk. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to reduce
    Instructions
    vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all sources of ignition.
    Consult federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        CORROSIVE. HARMFUL. REFRIGERATE. Keep container dry. 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
    Information
    dust. Never add water to this product. Wear suitable protective clothing. If you feel unwell, seek medical attention and
    show the label when possible. Treat symptomatically and supportively.
    Always store away from incompatible compounds such as oxidizing agents, alkalis (bases).

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Face shield. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid    
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
    this product.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Solid. (White-Reddish-Yellow Crystalline        Slightly soluble in toluene.    
    Powder.)
    Not available.
    Specific Gravity
    Molecular Weight        254.73        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not applicable.    
    Melting Point        50°C (122°F)        Vapor Density        Not available.    
    Refractive Index        Not available.        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Not available.    
    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, alkalis (bases), water, alcohols.    

Section XI. Toxicological Information
    Not available.
    RTECS Number
    Eye Contact. Ingestion. Inhalation. Skin contact.
    Routes of Exposure
    Toxicity Data        Not available.    
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated exposure of the eyes to a low level of dust can produce eye irritation. Repeated skin exposure can produce
    local skin destruction, or dermatitis. Repeated inhalation of dust can produce varying degree of respiratory irritation or
    lung damage.
    Acute Toxic Effects        Corrosive to skin, eyes, and respiratory system. Liquid or spray mist may produce tissue damage, particularly in mucous    
    membranes of the eyes, mouth and respiratory tract. Skin contact may produce burns. Eye contact can result in corneal
    damage or blindness. Inhalation of the spray mist may produce severe irritation of respiratory tract, characterized by
    coughing, choking, or shortness of breath. Corrosive materials may cause serious injury if ingested.
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    2-(1-Naphthyl)ethanesulfonyl Chloride

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Not available.
    Environmental Fate

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    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
    DOT Classification        DOT Class 8: Corrosive material.    
    PIN Number
    Proper Shipping Name
    Corrosive solid, acidic, organic, n.o.s.
    Packing Group (PG)        II    
    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        CLASS E: Corrosive solid.    
    (Canada)
    EINECS Number (EEC)        Not available.    
    EEC Risk Statements        R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.    
    R34- Causes burns.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2904909090

概述:
2904909090 其他烃的磺化、硝化、亚硝化衍生物(不论是否卤化). 增值税率:17.0% 退税率:9.0% 监管条件:无 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
摘要/Summary:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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:67.22

2、摩尔体积(cm3/mol):188.7

3、等张比容(90.2K):509.3

4、表面张力(dyne/cm):52.9

5、介电常数:无可用的

6、极化率(10-24cm3):26.64

7、单一同位素质量:254.016827 Da

8、标称质量:254 Da

9、平均质量:254.7325 Da

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:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积42.5

7.重原子数量:16

8.表面电荷:0

9.复杂度:320

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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