2-Bromonaphthalene

物化性质

外观与性状：

无色晶体。 不溶于水，可溶于乙醇、乙醚、苯、氯仿。

密度：

1,605 g/cm3

熔点：

52-55 °C(lit.)

沸点：

281-282 °C(lit.)

闪点：

>230 °F

水溶解性：

slightly soluble

折射率：

1.6382

蒸汽压：

0.00565mmHg at 25°C

存储条件/存储方法：

2-8°C

其它信息：

1. 性状：白色或微黄色针状结晶。

2. 密度（g/mL,25/4℃）：1.60

3. 相对密度（20℃，4℃）：1.605⁰

4. 熔点（ºC）：59℃（54～56℃）

5. 沸点（ºC,常压）：281.5

6. 沸点（ºC,5.2kPa）：未确定

7. 常温折射率（n²⁵）：1.6382⁶⁰

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：易溶于苯、乙醇、乙醚、氯仿和二硫化碳，微溶于水。

安全信息

外观与性状：

无色晶体。 不溶于水，可溶于乙醇、乙醚、苯、氯仿。

密度：

1,605 g/cm3

熔点：

52-55 °C(lit.)

沸点：

281-282 °C(lit.)

闪点：

>230 °F

水溶解性：

slightly soluble

折射率：

1.6382

蒸汽压：

0.00565mmHg at 25°C

存储条件/存储方法：

2-8°C

其它信息：

1. 性状：白色或微黄色针状结晶。

2. 密度（g/mL,25/4℃）：1.60

3. 相对密度（20℃，4℃）：1.605⁰

4. 熔点（ºC）：59℃（54～56℃）

5. 沸点（ºC,常压）：281.5

6. 沸点（ºC,5.2kPa）：未确定

7. 常温折射率（n²⁵）：1.6382⁶⁰

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：易溶于苯、乙醇、乙醚、氯仿和二硫化碳，微溶于水。

MSDS

Name:	2-Bromonaphtalene 99% (GC) Material Safety Data Sheet
Synonym:	Tert-Butyl Bromid
CAS:	580-13-2

Section 1 - Chemical Product   MSDS Name:2-Bromonaphtalene 99% (GC) Material Safety Data Sheet
Synonym:Tert-Butyl Bromid
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
580-13-2	2-Bromonaphthalene	99 (GC)	209-452-5

Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 580-13-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Crystalline powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 281 - 282 deg C
Freezing/Melting Point: 52 - 55 deg C
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: slightly soluble in water
Specific Gravity/Density:
Molecular Formula: C10H7Br
Molecular Weight: 207.07
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases, bromine fumes, bromine.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 580-13-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromonaphthalene - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 580-13-2: No information available.
Canada
CAS# 580-13-2 is listed on Canada's NDSL List.
CAS# 580-13-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 580-13-2 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

分子性质数据：

1、 摩尔折射率：51.78

2、 摩尔体积（cm³/mol）：139.7

3、 等张比容（90.2K）：361.6

4、 表面张力（dyne/cm）：44.8

5、 极化率（10^-24cm³）：20.52

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:0

4.可旋转化学键数量:0

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:11

8.表面电荷:0

9.复杂度:133

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