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174500-20-0

174500-20-0结构式
174500-20-0结构式

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中文名 2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶
英文名 (S,S)-2,2'-(2,6-Pyridinediyl)bis(4-phenyl-2-oxazoline)
中文别名 2,6-双[(4S)-4-苯基-2-噁唑啉基]吡啶
2,6-二[(4S)-4-苯基-2-噁唑啉基]吡啶
2,6-双[4S-4-苯基-2-噁唑啉基]吡啶
(-)-2,6-双((4S)-4-苯基-2-恶唑啉)吡啶
(S,S)-2,6-双(4,5-二氢-4-苯基-2-噁唑基)吡啶
2,6-双[(4S)-4-苯基-2-恶唑啉]吡啶
2,6-二[(4S)-4-苯基-2-恶唑啉基
2,6-双[(4S)-4-苯基-2-噁唑啉基]吡啶
(S,S)-2,6-双(4-苯基-2-恶唑啉-2-基)吡啶
(S,S)-2,6-双(4-苯基-2-噁唑啉基)吡啶
(S,S)-2,6-双(4-苯基-2-恶唑啉-2-基)吡啶
(S,S)-2,2'-(2,6-吡啶二基)双(4-苯基-2-恶唑啉
英文别名 2,6-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine
Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-
2,6-Bis[(4S)-phenyl-2-(oxazolin-2-yl)]pyridine
2,6-Bis[4S-4-phenyl-2-oxazolinyl]pyridine
2,6-Bis[(4S)-phenyl-2-oxazolin-2-yl]pyridine
2,6-Bis[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine
(S,S)-2,6-Bis(4,5-dihydro-4-phenyl-2-oxazolyl)pyridine
(S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine
(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
(S,S)-2,6-Bis(4-phenyl-2-oxazolinyl)pyridine
MFCD01863586
2,6-Bis[(4S)-4-phenyl-2-oxazolinyl]pyridine
密度 1.3±0.1 g/cm3
沸点 600.4±55.0 °C at 760 mmHg
熔点 171-175 °C(lit.)
分子式 C23H19N3O2
分子量 369.416
闪点 316.9±31.5 °C
精确质量 369.147736
PSA 56.07000
LogP 3.43
外观性状 白色至灰白色结晶粉末
蒸汽压 0.0±1.6 mmHg at 25°C
折射率 1.674
储存条件

密封冷藏于干燥环境中

稳定性

遵照规定使用和储存则不会分解。

水溶解性 Insoluble
分子结构

1、 摩尔折射率:107.74

2、 摩尔体积(m3/mol):287.2

3、 等张比容(90.2K):766.0

4、 表面张力(dyne/cm):50.6

5、 极化率(10-24cm3):42.71

计算化学

1.疏水参数计算参考值(XlogP):4

2.氢键供体数量:0

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积56.1

7.重原子数量:28

8.表面电荷:0

9.复杂度:543

10.同位素原子数量:0

11.确定原子立构中心数量:2

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

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):171-175

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):-224( C=1, 氯仿)

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:不溶于水

Name: 2 6-bis[(4s)-phenyl-2-oxazolin-2-yl]pyridine Material Safety Data Sheet
Synonym:
CAS: 174500-20-0
Section 1 - Chemical Product MSDS Name:2 6-bis[(4s)-phenyl-2-oxazolin-2-yl]pyridine Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
174500-20-0 2,6-bis[(4s)-phenyl-2-oxazolin-2-yl]py 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. Avoid generating dusty conditions.

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# 174500-20-0: 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: Crystals
Color: white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 171 - 175 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C23H19N3O2
Molecular Weight: 369.42

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 174500-20-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,6-bis[(4s)-phenyl-2-oxazolin-2-yl]pyridine - 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: 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# 174500-20-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 174500-20-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 174500-20-0 is not listed on the TSCA inventory.
It is for research and development use only.


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。

符号 GHS07
GHS07
信号词 Warning
危害声明 H315-H319-H335
警示性声明 P261-P305 + P351 + P338
个人防护装备 dust mask type N95 (US);Eyeshields;Gloves
危害码 (欧洲) Xi:Irritant;
风险声明 (欧洲) R36/37/38
安全声明 (欧洲) S26-S36/37/39-S37/39
危险品运输编码 NONH for all modes of transport
WGK德国 3

~74%

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文献:Schaus; Jacobsen Organic letters, 2000 , vol. 2, # 7 p. 1001 - 1004

~70%

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文献:Kim, Hae-Jo; Asif, Riaz; Chung, Doo Soo; Hong, Jong-In Tetrahedron Letters, 2003 , vol. 44, # 23 p. 4335 - 4338

~52%

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文献:Redlich, Mark; Hossain, M. Mahmun Tetrahedron Letters, 2004 , vol. 45, # 49 p. 8987 - 8990

~72%

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文献:Cornejo; Fraile; Garcia; Gil; Martinez-Merino; Mayoral; Pires; Villalba Synlett, 2005 , # 15 art. no. G13005ST, p. 2321 - 2324

~%

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文献:Tetrahedron Letters, , vol. 45, # 49 p. 8987 - 8990

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文献:Tetrahedron Letters, , vol. 46, # 27 p. 4543 - 4546

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文献:Tetrahedron Letters, , vol. 45, # 49 p. 8987 - 8990

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文献:Tetrahedron Letters, , vol. 46, # 27 p. 4543 - 4546