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), (11bR)-
- 中文别名:(11bR)-(–)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c:1,2-e]azepinium bromide
- 中文释义:(11bR)-(–)-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;(11BR)-4,4 -二丁基- 2 ,6 -二(3,4,5 - 三氟苯基)-4,5 -二氢-联萘酚溴;(11BR)-(–)-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), (11bR)-;
3H-Dinaphth[2,1-c:1',2'-e]azepinium, 4,4-dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-, bromide, (11bR)- (9CI)
- CAS No.:887938-70-7
- 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:
物化性质
- 熔点:
- 223-228 °C
- 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):223-228
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
安全信息
- 熔点:
- 223-228 °C
- 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):223-228
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
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。
MSDS
Section 1: Product Identification
Chemical Name:(11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide
CAS Registry Number:887938-70-7
Formula:C42H36BrF6N
EINECS Number:none
Chemical Family:organic amine salt
(R)-4,4-Dibutyl-2,6-bis-(3,4,5-trifluoro-phenyl)-4,5-dihydro-3H-4-azonia-cyclohepta[2,1-a;3,4-a']dinaphthalene;
Synonym:
bromide
Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title compound887938-70-7100%no datano data
Section 3: Hazards Identification
Emergency Overview:Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure:Ingestion, inhalation, skin, eyes
Eye Contact:Causes irritation of the eyes.
Skin Contact:Causes irritation of the skin.
Inhalation:Dust is irritating to the nose, mucous membranes and respiratory tract.
Ingestion:No information on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects:Irritating to skin, eyes and respiratory tract.
Chronic Health Affects:No information available on long-term chronic effects
NTP:No
IARC:No
OSHA:No
SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.
SECTION 5: Fire Fighting Measures
Flash Point:no data
Autoignition Temperature:no data
Explosion Limits:no data
Extinguishing Medium:carbon dioxide, dry chemical or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion andIf involved in a fire, this material may emit irritating organic fumes
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards
SECTION 6: Accidental Release Measures
Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and
Spill and Leak Procedures:
swept up.
SECTION 7: Handling and Storage
Handling and Storage:Store in a tightly sealed container in a cool, dry place.
SECTION 8: Exposure Controls and Personal Protection
Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection:Wear protective clothing and gloves.
Ventilation:Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation:Handle the material in an efficient fume hood.
Additional Protection:No additional protection required.
SECTION 9: Physical and Chemical Properties
Color and Form:brown powder
Molecular Weight:748.64
Melting Point:no data
Boiling Point:no data
Vapor Pressure:bno data
Specific Gravity:no data
Odor:not determined
Solubility in Water:insoluble
SECTION 10: Stability and Reactivity
Stability:air and moisture stable
Hazardous Polymerization:no hazardous polymerization
Conditions to Avoid:none
Incompatibility:strong oxidizing agents
Decomposition Products:carbon dioxide, carbon monoxide, hydrogen bromide and organic fumes
SECTION 11: Toxicological Information
RTECS Data:No information available in the RTECS files
Carcinogenic Effects:no data
Mutagenic Effects:no data
Tetratogenic Effects:no data
SECTION 12: Ecological Information
Ecological Information:No information available
SECTION 13: Disposal Considerations
Disposal:Dispose of according to local, state and federal regulations
SECTION 14: Transportation
Shipping Name (CFR):Non-hazardous
Hazard Class (CFR):NA
Additional Hazard Class (CFR):NA
Packaging Group (CFR):NA
UN ID Number (CFR):NA
Shipping Name (IATA):Non-hazardous
Hazard Class (IATA):NA
Additional Hazard Class (IATA):NA
Packaging Group (IATA):NA
UN ID Number (IATA):NA
SECTION 15: Regulatory Information
TSCA:Not listed in the TSCA inventory
SARA (Title 313):Title compound not listed
Second Ingredient:none
SECTION 16 - ADDITIONAL INFORMATION
N/A
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