5,6-二乙酰氧基吲哚,15069-79-1，生产厂家，价格-洛克化工网移动版

5,6-二乙酰氧基吲哚

中文名称：: 5,6-二乙酰氧基吲哚

中文别名：: 5,6-二乙酰氧基吲哚;
2-Chloro-3-Methylbenzoicacid;
2-Chloro-3-Methyl-Benzoic Acid;
2-Chloro-3-methylbenzoic acid;
N-(苄氧羰基)-2-甲基丙氨酸;
methyl (2S)-amino(phenyl)ethanoate hydrochloride (1:1);
L-PHENYLGLYCINE METHYL ESTER HCL;
L-PHENYLGLYCINE METHYL ESTER HYDROCHLORIDE SALT;
H-(PH)GLY-OME HCL;
(S)-(+)-2-PHENYLGLYCINE METHYL ESTER HYDROCHLORIDE;
PHENYLGLYCINE-OME HCL;
L-Phenylglycine Methyl Ester,Hydrochloride;
methyl N-phenylglycinate hydrochloride (1:1);
(S)-(+)-2-phe

英文名称：: 1H-Indole-5,6-diol,5,6-diacetate

英文别名：: 5,6-Diacetoxyindole;
(6-acetyloxy-1H-indol-5-yl) acetate

CAS No.：: 15069-79-1

分子式：: C₁₂H₁₁NO₄

分子量：: 233.22

精确分子量：: 233.06900

PSA：: 68.39000

InChI：: InChI=1/C12H11NO4/c1-7(14)16-11-5-9-3-4-13-10(9)6-12(11)17-8(2)15/h3-6,13H,1-2H33

分子结构式：

SDS：: 查看

5,6-二乙酰氧基吲哚物化性质

密度：: 1.316g/cm3
沸点：: 413.8ºC at 760 mmHg
闪点：: 204ºC
折射率：: 1.607
蒸汽压：: 4.69E-07mmHg at 25°C
其它信息：: 1. 性状：未确定

2. 密度（g/mL,25/4℃）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：未确定

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）：未确定

19. 溶解性：未确定

5,6-二乙酰氧基吲哚 MSDS

5,6-Diacetoxyindole Revision number: 6
SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        5,6-Diacetoxyindole

  Revision number:        6

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:        5,6-Diacetoxyindole
  Percent:        >98.0%(HPLC)(N)
  CAS Number:        15069-79-1
  Chemical Formula:        C12H11NO4

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.
  5,6-Diacetoxyindole

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 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
  Precautions for safe 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.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.
    Store under inert gas.
    Store away from incompatible materials such as oxidizing agents.
    Light-sensitive, Air-sensitive
  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: Dust 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):        Solid
  Form:        Crystal- Powder
    White - Slightly pale yellow red
  Colour:
  Odour:        No data available
  pH: No data available
  Melting point/freezing point:138°C
    No data available
  Boiling point/range:
  Flash point:        No data available
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available
    No data available
  Relative density:
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]        No data available
  5,6-Diacetoxyindole

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. 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
    Does not correspond to the classification standard of the United Nations
  Hazards Class:
  UN-No:        Not listed

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.
  5,6-Diacetoxyindole

SECTION 16 - ADDITIONAL INFORMATION
N/A

5,6-二乙酰氧基吲哚分子结构与计算化学数据

分子结构数据

五、分子性质数据：

1、摩尔折射率：61.21

2、摩尔体积（m³/mol）：177.1

3、等张比容（90.2K）：473.7

4、表面张力（dyne/cm）：51.1

5、极化率（10^-24cm³）：24.26

计算化学数据

1.疏水参数计算参考值（XlogP）:1.6

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积68.4

7.重原子数量:17

8.表面电荷:0

9.复杂度:318

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

5,6-二乙酰氧基吲哚上游产品

盐酸莱克多巴胺 6-硝基-3,4-亚甲基二氧苯甲醛 3,4-二羟基苯甲醛 1,2-苯二醇, 4-[(1E)-2-硝基乙烯基]-, 二乙酸酯 (ester)

5,6-二乙酰氧基吲哚下游产品

二羟吲哚二苯基二硒醚 bis(2,3,4,6-tetra-O-acetyl-1-thio-β-D-galactopyranosyl)1,1'-disulfide