958004-04-1

中文名	(12a,18a)-5,6,12,12a,13,18,18a,19八氢5,6二甲基13,18[1',2']亚苯基双苯并咪唑[1,2-b:2',1'-d]苯并[i][2.5]二氮芳辛钾三氟甲磺酸加和物
英文名	(12a,18a)-5,6,12,12a,13,18,18a,19-Octahydro-5,6-dimethyl-13,18[1',2']-benzenobisbenzimidazo [1,2-b:2',1'-d]benzo[i][2.5]benzodiazocine potassium triflate adduct
英文别名	MFCD11045082

分子式	C₃₄H₃₀N₄
分子量	494.62900
精确质量	494.24700
PSA	19.72000
LogP	6.65920
储存条件	密封于阴凉干燥环境中
稳定性	遵照规定使用和储存则不会分解。
分子结构	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	1、疏水参数计算参考值（XlogP）：3.7 2、氢键供体数量：1 3、氢键受体数量：5 4、可旋转化学键数量：5 5、拓扑分子极性表面积（TPSA）：76.1 6、重原子数量：30 7、表面电荷：0 8、复杂度：673 9、同位素原子数量：0 10、确定原子立构中心数量：2 11、不确定原子立构中心数量：0 12、确定化学键立构中心数量：0 13、不确定化学键立构中心数量：1 14、共价键单元数量：1
更多	1. 性状：无可用 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）：无可用 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

Section 1: Product Identification
(12a,18a)-5,6,12,12a,13,18,18a,19-Octahydro-5,6-dimethyl-13,18[1',2']-benzenobisbenzimidazo
Chemical Name:
[1,2-b:2',1'-d]benzo[i][2.5]benzodiazocine potassium triflate adduct
CAS Registry Number:958004-04-1
Formula:C34H30N4.CF3SO3K

EINECS Number:none
Chemical Family:organic amide
Synonym:none

Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title compound958004-04-1100%2.5mg/m3 (as F)2.5mg/m3 (as F)

Section 3: Hazards Identification
Emergency Overview:Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure:Inhalation, skin, eyes
Eye Contact:Causes slight to mild irritation of the eyes.
Skin Contact:Causes irritation to the skin
Inhalation:Causes irritation 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 under an inert atmosphere of nitrogen or argon. Keep 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:yellow pwdr.
Molecular Weight:494.63(682.80)
Melting Point:no data
Boiling Point:no data
Vapor Pressure:no data
Specific Gravity:no data
Odor:not determined
Solubility in Water:insoluble

SECTION 10: Stability and Reactivity
Stability:air sensitive
Hazardous Polymerization:no hazardous polymerization
Conditions to Avoid:prolonged exposure to air and moisture
Incompatibility:oxidizing agents
Decomposition Products:carbonyl fluoride, carbon monoxide, organic fumes, hydrogen fluoride, and sulfur dioxide..

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

生态学数据:

该物质对环境可能有危害，对水体应给予特别注意。

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