2-溴-4,6-二-叔-丁基苯酚

2-溴-4,6-二-叔-丁基苯酚 基本信息
CAS号 20834-61-1 分子式 C14H21BrO
分子量 285.22000 精确质量 　284.07800
PSA 　20.23000 LogP 　4.74970
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
20834-61-1
3D弹球模型：
立即前往扯扯看
分子式：
C14H21BrO
分子量：
285.22000
中文名称：
2-溴-4,6-二-叔-丁基苯酚
英文名称：
2-bromo-4,6-ditert-butylphenol
中文别名：
2-溴-4,6-二-叔-丁基苯酚;
2-溴-4,6-二叔丁基苯酚
英文别名：
2-bromo-4,6-ditert-butylphenol;
2-Bromo-4,6-di-tert-butylphenol;
2-Bromo-4,6-di-t-butylphenol;
6-bromo-2,4-di-tert-butylphenol;
2,4-di-tert-butyl-6-bromophenol;
2-BROMO-4,6-DI-TERT-BUTYLPHENOL
精确分子量/精确质量：
284.07800
极性分子表面积/PSA：
20.23000
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：
MFCD00051597
EINECS：
000-000-0
BRN：
2100150
InChI：
The Key: DIWZVAHZEOFSLS-UHFFFAOYSA-N

物化性质展开↓

密度：
1.201g/cm3
熔点：
56 °C
沸点：
269.8ºC at 760 mmHg
闪点：
117ºC
折射率：
1.523
蒸汽压：
0.00429mmHg at 25°C
存储条件/存储方法：

保持贮藏器密封

放入紧密的贮藏器内，储存在阴凉，干燥的地方

稳定性相关：

如果遵照规格使用和储存则不会分解

避免接触氧化物

其它信息：

1. 性状：固体

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）：55-57

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

安全信息展开↓

包装等级：
III
风险类别：
6.1
海关代码：
2908199090
危险类别码：
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin .
安全说明：
S22-S26-S36/37/39-S45
危险标志：
T

合成路线查看所有的合成路线

  • 96-76-4

    2,4-二叔丁基酚

  • →

    ~95%

  • 20834-61-1

    2-溴-4,6-二-叔-丁基苯酚

  • 732-26-3

    2,4,6-三叔丁基苯酚

  • →

    ~20%

  • 20834-61-1

    2-溴-4,6-二-叔-丁基苯酚

  • 732-26-3

    2,4,6-三叔丁基苯酚

  • +

  • 7726-95-6

    溴素

  • →

  • 20834-61-1

    2-溴-4,6-二-叔-丁基苯酚

毒理性展开↓

生态数据：

对水是稍微危害的，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

Name: 2-Bromo-4 6-di-tert-butylphenol 97% Material Safety Data Sheet
Synonym:
CAS: 20834-61-1
Section 1 - Chemical Product   MSDS Name:2-Bromo-4 6-di-tert-butylphenol 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
20834-61-1 2-Bromo-4,6-di-tert-butylphenol 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 20834-61-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 50 - 53 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H21BrO
Molecular Weight: 285
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acid chlorides, bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Not available.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 20834-61-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-4,6-di-tert-butylphenol - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 20834-61-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 20834-61-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 20834-61-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2908199090

概述：
HS:2908199090 其他酚及酚醇的仅含卤素取代基的衍生物及其盐 增值税率:17.0% 退税率:9.0% 监管条件:无 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：
HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. 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

五、分子性质数据：

1、   摩尔折射率：72.59

2、   摩尔体积(m3/mol)：237.4

3、   等张比容(90.2K)：568.8

4、   表面张力(dyne/cm)：32.9

5、   极化率(10-24cm3)：28.78

计算化学数据

1.疏水参数计算参考值（XlogP）:5.6

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积20.2

7.重原子数量:16

8.表面电荷:0

9.复杂度:236

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

  • 96-76-4

    2,4-二叔丁基酚

  • 732-26-3

    2,4,6-三叔丁基苯酚

  • 1988-75-6

    4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadien-1-one

  • 7726-95-6

    溴素

下游产品

更多

  • 217819-14-2

    1-bromo-3,5-ditert-butyl-2-methoxybenzene

  • 1044260-52-7

    3,5-di-tert-butyl-2-hydroxybenzamide

  • 19715-19-6

    3,5-二叔丁基水杨酸

  • 95091-86-4

    3,5-ditert-butyl-2-hydroxybenzonitrile

  • 120695-69-4

    6,8-di-tert-butyl-3-(3,5-di-tert-butyl-2-hydroxybenzyl)-2H-3,4-dihydrobenz[e]-1,3-oxazine

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP