2-丁基苯胺

2-丁基苯胺 基本信息
CAS号 2696-85-7 分子式 C10H15N
分子量 149.23300 精确质量  149.12000
PSA  26.02000 LogP  3.19260

基本信息 展开↓

CAS号:
2696-85-7
3D弹球模型:
立即前往扯扯看
分子式:
C10H15N
分子量:
149.23300
中文名称:
2-丁基苯胺
英文名称:
2-Butylaniline
中文别名:
2-丁基苯胺;
2-N-丁基苯胺;
2-正丁基苯胺
英文别名:
2-Butylaniline;
o-aminobutylbenzene;
Benzenamine,2-butyl;
butylaniline;
2-n-Butylphenylamine;
o-Butyl-aniline
精确分子量/精确质量:
149.12000
极性分子表面积/PSA:
26.02000
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。
EINECS:
220-272-6
InChI:
The Key: HDVUPIFFKAHPJY-UHFFFAOYSA-N

物化性质展开↓

密度:
0.947g/cm3
沸点:
249ºC at 760mmHg
闪点:
105.4ºC
折射率:
1.538
蒸汽压:
0.0235mmHg at 25°C
存储条件/存储方法:

 密闭于阴凉干燥环境中

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):0.95

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):126

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

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:无可用

安全信息展开↓

海关代码:
2921420090
危险类别码:
20/21/22
安全说明:
23-36/37/39
安全标志:
S23:不要吸入蒸汽。
:

合成路线查看所有的合成路线

  • 50461-36-4

    2-(thiolan-2-yl)aniline

  • ~60%

  • 2696-85-7

    2-丁基苯胺

  • 62723-78-8

    2-(methoxymethyl)aniline

  • +

  • 927-77-5

    丙基溴化镁

  • 2696-85-7

    2-丁基苯胺

  • 61644-32-4

    4-butyl-3-nitroaniline

  • 2696-85-7

    2-丁基苯胺

化学图谱

  1. 2-丁基苯胺质谱(MS)

  2. 2-丁基苯胺红外图谱(IR1)

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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↓


Section I.Chemical Product and Company Identification
    Chemical Name 2-n-Butylaniline
    Portland OR
    Synonym        Not available.    
    Chemical Formula        NH2C6H4(CH2)3CH3    
    CAS Number        2696-85-7    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    2-n-Butylaniline        2696-85-7        Min. 95.0 Not available.        Not available.    
    (GC)

Section III. Hazards Identification
    Acute Health Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the    
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering. 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 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.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    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. SEEK IMMEDIATE MEDICAL
    ATTENTION in case of ingestion of a radioactive material.

Section V.        Fire and Explosion Data    
    Not available.
    Flammability        May be combustible at high temperature.        Auto-Ignition    
    Flash Points        Flammable Limits        Not available.    
    108°C (226.4°F).
    Combustion Products
    These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2).
    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
    Continued on Next Page
    2-n-Butylaniline

Section VI.        Accidental Release Measures    
    Spill Cleanup        Irritating material.    
    Instructions        In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and excercise caution. Use a    
    shovel to put material into a convenient waste disposal container. Finish cleaning the spill by rinsing any contaminated
    surfaces with copious amounts of water. Consult federal, state and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        IRRITANT. 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, acids.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Be sure to use a MSHA/NIOSH approved respirator or    
    equivalent. 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        Liquid.        Not available.    
    0.953
    Specific Gravity
    Molecular Weight        149.23        Partition Coefficient        Not available.    
    Boiling Point        122 to 123°C @ 12mm Hg (251.6 to        Vapor Pressure        Not available.    
    253.4°F)
    Melting Point        Not available.        Vapor Density        Not available.    
    Not available.        Volatility        Not available.    
    Refractive Index
    Critical Temperature        Odor        Not available.    
    Not available.
    Not available.        Not available.    
    Viscosity        Taste    

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 strong oxidizing agents, strong acids.

Section XI. Toxicological Information
    RTECS Number        Not available.    
    Routes of Exposure        Eye Contact. Ingestion. inhalation. Skin contact.    
    Not available.
    Toxicity Data
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic 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.
    Acute Toxic Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the    
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
    handling this compound.
    Continued on Next Page
    2-n-Butylaniline

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 dissove 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 locl regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Not applicable.
    PIN Number
    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 available    
    (Canada)
    EINECS Number (EEC) 220-272-6
    EEC Risk Statements        R36/37/38- Irritating to eyes, respiratory system and skin.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2921420090

概述:
2921420090 其他苯胺衍生物及其盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 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:
HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% 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:49.30

2、   摩尔体积(m3/mol):157.5

3、   等张比容(90.2K):389.2

4、   表面张力(dyne/cm):37.2

5、   极化率10-24cm3):19.54

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:3

5.互变异构体数量:无

6.拓扑分子极性表面积26

7.重原子数量:11

8.表面电荷:0

9.复杂度:101

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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