1-苄基-5-乙氧基海因

1-苄基-5-乙氧基海因 基本信息
CAS号 65855-02-9 分子式 C12H14N2O3
分子量 234.25100 精确质量 　234.10000
PSA 　58.64000 LogP 　1.36770
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
65855-02-9
3D弹球模型：
立即前往扯扯看
分子式：
C12H14N2O3
分子量：
234.25100
中文名称：
1-苄基-5-乙氧基海因
英文名称：
1-Benzyl-5-ethoxyhydantoin
中文别名：
1-苄基-5-乙氧基海因;
BEH;
2-ClZ-OSU;
N-(2-Chlorobenzyloxycarbonyloxy)succinimide;
1-({[(2-chlorobenzyl)oxy]carbonyl}oxy)pyrrolidine-2,5-dione;
Z(2Cl)-OSu;
Z-(2-Cl)-Osu;
n-(2-chlorobenzyloxy carbonyloxy) succinimide;
UNII-65NK71K78P;
L-lysyl-N-(2-benzoyl-4-chlorophenyl)-N-methylglycinamide;
Avizafone;
piperidyl-succinat);
dimethyl succinate polymer w/4-hydroxy-2,2,6,6-;
tetramethyl-1-piperidine ethanol;
Primesorb622;
Poly-(N-β-hydroxyethyl-2,2,6,6-tetramethyl-4-hydroxy-piperidyl)succinate;
TINUVIN 622;
Poly-(N--hydroxyethyl-2,2,6,6-tetramethyl-4-hydroxy-piperidyl succinate);
Poly;
Photo-stabilizer BW-10LD;
Aminosyn 8.5%;
Aminosyn 8.5% (ph6);
Aminosyn II 10%;
Aminosyn II 10% in plastic container;
Aminosyn II 15% in plastic container;
Aminosyn II 3.5%;
Aminosyn II 3.5% in plastic container;
Aminosyn II 5%;
Aminosyn II 7%;
Aminosyn II 8.5%;
Aminosyn II in dextrose;
Aminosyn-HBC 7%;
Aminosyn-HBC 7% in plastic container;
Aminosyn-HF 8%;
Aminosyn-PF 10%;
Aminosyn-PF 7%;
Aminosyn-RF 5.2%;
Branchamin 4%;
Branchamin 4% in plastic container;
Chargex;
Clinisol 15% su
英文别名：
1-Benzyl-5-ethoxyhydantoin;
1-benzyl-5-ethoxyimidazolidine-2,4-dione
精确分子量/精确质量：
234.10000
极性分子表面积/PSA：
58.64000
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：
417-340-4
InChI：
InChI=1/C12H14N2O3/c1-2-17-11-10(15)13-12(16)14(11)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,15,16)

物化性质展开↓

外观与性状：
白色或略淡黄色,结晶粉末,无气味的
密度：
1.26 g/cm3
熔点：
90-95°C
折射率：
1.584
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）：90-95

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）：

19.    溶解性：。

安全信息展开↓

海关代码：
2933990090
危险类别码：
R22
安全说明：
S2-S22
安全标志：
S2:存放在儿童接触不到的地方。
S22:不要吸入粉尘。
危险标志：
Xn:Harmful;

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  • 65855-02-9

    1-苄基-5-乙氧基海因

  • 110668-56-9

    1-benzyl-5-hydroxyimidazolidine-2,4-dione

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    1-苄基-5-乙氧基海因

MSDS 展开↓

  1-Benzyl-5-ethoxyhydantoin      Revision number: 1    
  SAFETY DATA SHEET
Section 1. BASE INFORMATION
  Product name:        1-Benzyl-5-ethoxyhydantoin    

  Revision number:        1    
Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
    None
  Pictograms or hazard symbols
  Signal word        No signal word    
    None
  Hazard statement
  Precautionary statements        None    
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        1-Benzyl-5-ethoxyhydantoin    
  Percent:        >98.0%(LC)(N)    
  CAS Number:        65855-02-9    
  Chemical Formula:        C12H14N2O3    
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.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to    
    generate poisonous fume.
  Specific methods:        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.
  1-Benzyl-5-ethoxyhydantoin
Section 5. FIRE-FIGHTING MEASURES
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:
Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.
Section 7. HANDLING AND STORAGE
  Handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.    
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
  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):        Solid    
  Form:        crystal - powder    
    White - Slightly pale yellow
  Color:
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:93 °C
  Boiling Point/Range:        No data available    
  Flash Point:        No data available    
  Explosive limits
  Lower:        No data available    
    No data available
  Upper:
  Density:        No data available    
    Soluble in : Methanol
  Solubility:
Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  Products:
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  1-Benzyl-5-ethoxyhydantoin
Section 11. TOXICOLOGICAL INFORMATION
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:
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):
  Mobillity in soil
  log Pow:        No data available    
  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. 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 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not Listed    
Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2933990090

概述：
2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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：61.97

2、   摩尔体积（m3/mol）：185.1

3、   等张比容（90.2K）：497.7

4、   表面张力（dyne/cm）：52.2

5、   极化率（10-24cm3）：24.56

计算化学数据

1.疏水参数计算参考值（XlogP）: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:4

5.互变异构体数量:5

6.拓扑分子极性表面积58.6

7.重原子数量:17

8.表面电荷:0

9.复杂度:300

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:1

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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  • 110668-56-9

    1-benzyl-5-hydroxyimidazolidine-2,4-dione

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  • 122-51-0

    原甲酸三乙酯

  • 298-12-4

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