CAS号851942-89-7_(S)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[7,6,1,2-cde]azepinium bromide价格多少钱_英文名及缩写

(S)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[7,6,1,2-cde]azepinium bromide 基本信息

中文名称：: (S)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[7,6,1,2-cde]azepinium bromide

中文别名：: (11bS)-(+)-4,4-二丁基-4,5-二氢-2,6-双(3,4,5-三氟苯基)-3H-二萘[2,1-c:1′,2′-e]氮杂卓溴化物

英文名称：: 3H-Dinaphth[2,1-c:1',2'-e]azepinium,4,4-dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-, bromide (1:1), (11bS)-

英文别名：: 3H-Dinaphth[2,1-c:1',2'-e]azepinium, 4,4-dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-, bromide (1:1), (11bS)-;
3H-Dinaphth[2,1-c:1',2'-e]azepinium, 4,4-dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-, bromide, (11bS)- (9CI);
(S)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide

CAS No.：: 851942-89-7

分子式：: C₄₂H₃₆F₆N.Br

分子量：: 748.64

精确分子量：: 747.19353

PSA：: 0.00000

MDL：: MFCD09264271

InChI：: The Key: LOMUZNOWQYZTRP-UHFFFAOYSA-M

分子结构式：

SDS：: 查看

(S)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[7,6,1,2-cde]azepinium bromide 物化性质

熔点：: 224-229ºC
存储条件/存储方法：: 密封于阴凉干燥环境中
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：固体

2.       密度（g/mL,25/4℃）：无可用

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：224-229

5.       沸点（ºC,常压）：无可用

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

(S)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[7,6,1,2-cde]azepinium bromide 毒理性

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。

(S)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[7,6,1,2-cde]azepinium bromide MSDS

    1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product name      : (11bS)-(+)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-
  trifluorophenyl)-3H-dinaphth[2,1-c:1′,2′-e]azepinium
  bromide
  Company      : (Shanghai) Trading Co.,Ltd
  41F K. Wah Centrre
  1010 Huai Hai Zhong Road
  200031 SHANGHAI
  CHINA
  Telephone      : +86 21-61415566
  Fax      : +86 21-61415567
  Emergency Phone #      : +8621-61415560
  E-mail address      : china@sial.com
    2. HAZARDS IDENTIFICATION
  This substance is not classified as dangerous according to Directive 67/548/EEC.
    3. COMPOSITION/INFORMATION ON INGREDIENTS
  Formula      : C42H36BrF6N
  Molecular Weight      : 748,64 g/mol
  CAS-No.      EC-No.      Index-No.      Classification      Concentration
    (11bS)-(+)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c:1',2'-e]azepinium
    bromide
  851942-89-7      -      -      -      -
    4. FIRST AID MEASURES
    If inhaled
  If breathed in, move person into fresh air. If not breathing give artificial respiration
    In case of skin contact
  Wash off with soap and plenty of water.
    In case of eye contact
  Flush eyes with water as a precaution.
    If swallowed
  Never give anything by mouth to an unconscious person. Rinse mouth with water.
   - 677086
    5. FIRE-FIGHTING MEASURES
    Suitable extinguishing media
  Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
    Special protective equipment for fire-fighters
  Wear self contained breathing apparatus for fire fighting if necessary.
    6. ACCIDENTAL RELEASE MEASURES
    Personal precautions
  Avoid dust formation.
    Environmental precautions
  Do not let product enter drains.
    Methods for cleaning up
  Sweep up and shovel. Keep in suitable, closed containers for disposal.
    7. HANDLING AND STORAGE
    Handling
  Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire
  protection.
    Storage
  Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Moisture sensitive.
    8. EXPOSURE CONTROLS/PERSONAL PROTECTION
    Personal protective equipment
    Respiratory protection
  Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type
  N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under
  appropriate government standards such as NIOSH (US) or CEN (EU).
    Hand protection
  For prolonged or repeated contact use protective gloves.
    Eye protection
  Safety glasses
    Hygiene measures
  General industrial hygiene practice.
    9. PHYSICAL AND CHEMICAL PROPERTIES
    Appearance
  Form      powder
  Colour      off-white
    Safety data
  pH      no data available
  Melting point      224 - 229 °C
  Boiling point      no data available
  Flash point      no data available
  Ignition temperature      no data available
   - 677086
  Lower explosion limit      no data available
  Upper explosion limit      no data available
  Water solubility      no data available
    10. STABILITY AND REACTIVITY
    Storage stability
  Stable under recommended storage conditions.
    Materials to avoid
  Strong oxidizing agents
    Hazardous decomposition products
  Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx),
  Hydrogen bromide gas, Hydrogen fluoride
    11. TOXICOLOGICAL INFORMATION
    Acute toxicity
  no data available
    Irritation and corrosion
  no data available
    Sensitisation
  no data available
    Chronic exposure
  IARC:      No component of this product present at levels greater than or equal to 0.1% is identified as
  probable, possible or confirmed human carcinogen by IARC.
    Potential Health Effects
    Inhalation
  May be harmful if inhaled. May cause respiratory tract irritation.
    Skin      May be harmful if absorbed through skin. May cause skin irritation.
    Eyes
  May cause eye irritation.
    Ingestion      May be harmful if swallowed.
    12. ECOLOGICAL INFORMATION
    Elimination information (persistence and degradability)
  no data available
    Ecotoxicity effects
  no data available
    Further information on ecology
  no data available
    13. DISPOSAL CONSIDERATIONS
    Product
  Observe all federal, state, and local environmental regulations.
    Contaminated packaging
  Dispose of as unused product.
   - 677086
    14. TRANSPORT INFORMATION
    ADR/RID
  Not dangerous goods
    IMDG
  Not dangerous goods
    IATA
  Not dangerous goods
    15. REGULATORY INFORMATION
    Labelling according to EC Directives
  Further information:
  The product does not need to be labelled in accordance with EC directives or respective national laws.
  Caution - substance not yet tested completely.
    16. OTHER INFORMATION
    Further information
  Copyright 2010 Co. License granted to make unlimited paper copies for internal use only.
  The above information is believed to be correct but does not purport to be all inclusive and shall be used
  only as a guide. The information in this document is based on the present state of our knowledge and is
  applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee
  of the properties of the product. Co., shall not be held liable for any damage resulting from
  handling or from contact with the above product. See reverse side of invoice or packing slip for additional
  terms and conditions of sale.
   - 677086

SECTION 16 - ADDITIONAL INFORMATION
N/A

(S)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[7,6,1,2-cde]azepinium bromide 分子结构与计算化学数据

分子结构数据

1、摩尔折射率：无可用

2、摩尔体积（cm³/mol）：无可用

3、等张比容（90.2K）：无可用

4、表面张力（dyne/cm）：无可用

5、极化率：无可用

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:7

4.可旋转化学键数量:8

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:50

8.表面电荷:0

9.复杂度:968

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:2

(S)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[7,6,1,2-cde]azepinium bromide