3,5-二苄氧基苄溴

3,5-二苄氧基苄溴 基本信息
CAS号 24131-32-6 分子式 C21H19BrO2
分子量 383.27800 精确质量  382.05700
PSA  18.46000 LogP  5.73950

基本信息 展开↓

CAS号:
24131-32-6
3D弹球模型:
立即前往扯扯看
分子式:
C21H19BrO2
分子量:
383.27800
中文名称:
3,5-二苄氧基苄溴
英文名称:
1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene
中文别名:
3,5-二苄氧基苄溴;
3,5-二(苄氧基)苄溴;
3,5-双(苄氧基)苄溴;
3,5-二苄氧基-α-溴甲苯
英文别名:
1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene;
3,5-BIS(BENZYLOXY)BENZYL BROMIDE;
3,5-Dibenzyloxy-α-bromotoluene;
1,3-bis-benzyloxy-5-bromomethylbenzene;
3,5-Dibenzyloxybenzyl BroMide
精确分子量/精确质量:
382.05700
极性分子表面积/PSA:
18.46000
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。
贝尔斯坦号/MDL:
MFCD02093444
InChI:
The Key: WGMYJGAUAQXYFQ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.329g/cm3
熔点:
86-88
沸点:
504.3ºC at 760 mmHg
闪点:
209.8ºC
折射率:
1.619
蒸汽压:
8.44E-10mmHg 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):87

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,20ºC):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:
2909309090
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 24131-31-5

    3,5-二苄氧基苯甲醇

  • ~98%

  • 24131-32-6

    3,5-二苄氧基苄溴

  • 100-44-7

    苄基氯

  • 24131-32-6

    3,5-二苄氧基苄溴

  • 28917-43-3

    3,5-二苄氧基苯甲酸

  • 24131-32-6

    3,5-二苄氧基苄溴

MSDS 展开↓

  Revision number: 1
  3,5-Dibenzyloxybenzyl Bromide
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
    3,5-Dibenzyloxybenzyl Bromide
  Product name:

    1
  Revision number:

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
    Not classified
  PHYSICAL HAZARDS
  HEALTH HAZARDS
    Category 1C
  Skin corrosion/irritation
    Category 1
  Serious eye damage/eye irritation
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
  Pictograms or hazard symbols
    Danger
  Signal word
    Causes severe skin burns and eye damage
  Hazard statement
  Precautionary statements
    Do not breathe.
  [Prevention]
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
    IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
  [Response]
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Store locked up.
  [Storage]
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
    3,5-Dibenzyloxybenzyl Bromide
  Component(s):
    >98.0%(GC)(T)
  Percent:
    24131-32-6
  CAS Number:
    3,5-Bis(benzyloxy)benzyl Bromide , 3,5-Dibenzyloxy-α-bromotoluene
  Synonyms:
    C21H19BrO2
  Chemical Formula:
  3,5-Dibenzyloxybenzyl Bromide

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Immediately call a POISON CENTER or doctor/physician.
    Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
  Skin contact:
    soap and water. Immediately call a POISON CENTER or doctor/physician.
    Rinse cautiously with water for several minutes. Remove contact lenses, if present
  Eye contact:
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
    Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
  Ingestion:
    induce vomiting.
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
    Take care as it may decompose upon combustion or in high temperatures to
  Specific hazards:
    generate poisonous fume.
    Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
  Specific methods:
    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.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
  emergency procedures: be controlled around the leakage area by 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 closed system if possible. Use a local exhaust if dust or aerosol will be
    generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Storage
    Keep container tightly closed. Store in a refrigerator.
  Storage conditions:
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
    Law is followed.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
    etc. Use respirators approved under appropriate government standards and follow
    local and national regulations.
    Impervious gloves.
  Hand protection:
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.
  3,5-Dibenzyloxybenzyl Bromide

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
    crystal - powder
  Form:
    White - Very pale yellow
  Color:
    No data available
  Odor:
  pH: No data available
  Melting point/freezing point:87 °C
    No data available
  Boiling Point/Range:
    No data available
  Flash Point:
  Explosive limits
    No data available
  Lower:
    No data available
  Upper:
    No data available
  Density:
    No data available
  Solubility:

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Stability:
    No special reactivity has been reported.
  Reactivity:
    Heat-sensitive
  Conditions to avoid:
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen bromide
  Products:

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

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
    No data available
  Crustacea:
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity in soil
    No data available
  log Pow:
    No data available
  Soil adsorption (Koc):
    No data available
  Henry's Law
  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
    8: Corrosive.
  Hazards Class:
    1759
  UN-No:
  3,5-Dibenzyloxybenzyl Bromide

Section 14. TRANSPORT INFORMATION
    Corrosive solid, n.o.s.
  Proper shipping name:
    III
  Packing group:

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:2909309090

概述:
2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物(包括亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% 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:101.23

2   摩尔体积m3/mol288.3

3   等张比容(90.2K):753.8

4   表面张力dyne/cm46.7

5   极化率10-24cm340.13

计算化学数据


1.疏水参数计算参考值(XlogP):5.4

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:7

5.互变异构体数量:无

6.拓扑分子极性表面积18.5

7.重原子数量:24

8.表面电荷:0

9.复杂度:307

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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