2-甲基-4,5-二苯唑

2-甲基-4,5-二苯唑 基本信息
CAS号 14224-99-8 分子式 C16H13NO
分子量 235.28100 精确质量  235.10000
PSA  26.03000 LogP  4.31700

基本信息 展开↓

CAS号:
14224-99-8
3D弹球模型:
立即前往扯扯看
分子式:
C16H13NO
分子量:
235.28100
中文名称:
2-甲基-4,5-二苯唑
英文名称:
2-Methyl-4,5-diphenyloxazole
中文别名:
2-甲基-4,5-二苯唑;
2-甲基-4,5-二苯基恶唑
英文别名:
2-Methyl-4,5-diphenyloxazole;
2-methyl-4,5-diphenyl-1,3-oxazole
精确分子量/精确质量:
235.10000
极性分子表面积/PSA:
26.03000
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。
PubChem:
24851553
InChI:
The Key: QLQIWRCWPJRJJA-UHFFFAOYSA-N

物化性质展开↓

密度:
1.108g/cm3
熔点:
28ºC(lit.)
沸点:
214ºC17 mm Hg(lit.)
闪点:
142.5ºC
折射率:
n20/D 1.628(lit.)
蒸汽压:
5.66E-05mmHg at 25°C
其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):1.116

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):28

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):214

7.       折射率:n20/D 1.628

8.       闪点(ºC):>110

9.       比旋光度º):未确定

10.    自燃点或引燃温度(ºC):不适用的

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↓

海关代码:
2934999090
WGK_Germany:
3
德国有关水污染物质的分类清单

合成路线查看所有的合成路线

  • 119-53-9

    2-羟基-2-苯基苯乙酮

  • +

  • 75-36-5

    乙酰氯

  • ~94%

  • 14224-99-8

    2-甲基-4,5-二苯唑

  • 451-40-1

    二苯基乙酮

  • ~91%

  • 14224-99-8

    2-甲基-4,5-二苯唑

  • 62398-10-1

    62398-10-1

  • ~85%

  • 14224-99-8

    2-甲基-4,5-二苯唑

化学图谱

  1. 2-甲基-4,5-二苯唑红外图谱(IR1)

  2. 2-甲基-4,5-二苯唑质谱(MS)

  3. 2-甲基-4,5-二苯唑核磁图(13CNMR)

  4. 2-甲基-4,5-二苯唑核磁图(1HNMR)

上一页 1/4 下一页

MSDS 展开↓

  2-Methyl-4,5-diphenyloxazole      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        2-Methyl-4,5-diphenyloxazole    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None    
    No signal word
  Signal word
  Hazard statements        None    
    None
  Precautionary statements:

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        2-Methyl-4,5-diphenyloxazole    
  Percent:        ....    
  CAS Number:        14224-99-8    
  Chemical Formula:        C16H13NO    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  2-Methyl-4,5-diphenyloxazole

Section 5. FIRE-FIGHTING MEASURES
  Precautions for firefighters: 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.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: 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
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapour or mist. Wash hands and face thoroughly after
    handling.
    Use a ventilation, local exhaust if vapour or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust as possible so that workers should not be
  Engineering controls:
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        Clear    
    Pale yellow - Yellow
  Colour:
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
    212°C/2.4kPa
  Boiling point/range:
  Flash point:        No data available    
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available    
    1.14
  Relative density:
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]        No data available    
  2-Methyl-4,5-diphenyloxazole

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
    No data available
  NTP =
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
  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:        Does not correspond to the classification standard of the United Nations    
    Not listed
  UN-No:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.
  2-Methyl-4,5-diphenyloxazole


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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:70.65

2、   摩尔体积(m3/mol):212.2

3、   等张比容(90.2K):539.7

4、   表面张力(dyne/cm):41.7

5、   极化率10-24cm3):28.00

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:2

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:18

8.表面电荷:0

9.复杂度:256

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

上下游相关产品

上游产品

更多
  • 119-53-9

    2-羟基-2-苯基苯乙酮

  • 75-36-5

    乙酰氯

  • 501-65-5

    二苯基乙炔

  • 75-05-8

    乙腈

  • 451-40-1

    二苯基乙酮

下游产品

更多
  • 20662-94-6

    2-乙基-4,5-二苯基噁唑

  • 114325-24-5

    1-methyl-2,3-diphenylpyrrole

  • 21511-90-0

    N-(1,2-diphenylethyl)acetamide

  • 2818-82-8

    2-methyl-4,5-diphenyl-1H-imidazole

  • 7449-60-7

    2-ethenyl-4,5-diphenyl-1,3-oxazole

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便