174500-20-0 (2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶,2,6-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine)

快速询单

结构式：

2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶MOL文件

CAS号：

174500-20-0

中文名称：

2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶

英文名称：

2,6-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine

安全信息：

分子式：

C₂₃H₁₉N₃O₂

分子量：

369.415865182877

2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶(174500-20-0)名称与标识符

名称

中文别名：

2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶;2,6-双[(4S)-4-苯基-2-恶唑啉基]吡啶;(-)-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-Bis(4-phenyl-2-oxazolin-2-yl)pyridine (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-2-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;2,6-双[(4S)-苯基-2-(恶唑啉-2-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)-2,2'-(2,6-吡啶二基)双(4-苯基-2-恶唑啉;(S,S)-2,6-双(4,5-二氢-4-苯基-2-噁唑基)吡啶;(S,S)-2,6-双(4-苯基-2-噁唑啉基)吡啶;2,6-二[(4S)-4-苯基-2-噁唑啉基]吡啶;-4-苯基-2-噁唑啉基]吡啶;(S,S)-2,2'-(2,6-吡啶二基)双(4-苯基-2-恶唑啉);2,6-双[(4S)-4-苯基-2-唑啉基]吡啶;(S,S)-2,6-双(4-苯基-2-唑啉基)吡啶;2,6-二[(4S)-4-苯基-2-噁唑啉基基]吡啶;

英文别名：

2,6-Bis[(4S)-phenyl-2-oxazolin-2-yl]pyridine;2,6-Bis[(4S)-4-phenyl-2-oxazolinyl]pyridine;(S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine;(-)-2,6-Bis[(4S)-4-phenyl-2-oxazolin-2-yl]pyridine;(S,S)-2,2'-(2,6-Pyridinediyl)bis(4-phenyl-2-oxazoline);2,6-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine;2,6-Bis[(4S)-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)-;(S,S)-2,6-Bis(4,5-dihydro-4-phenyl-2-oxazolyl)pyridine;2,6-Bis[4S-4-phenyl-2-oxazolinyl]pyridine;Pyridine,2,6-bis(4,5-dihydro-4-phenyl-2-oxazolyl)-, [S-(R*,R*)]-;2,6-Bis[(4S)-4,5-dihydro-4-phenyloxazol-2-yl]pyridine;2,6-Bis[(4S)-4-phenyl-2-oxazolin-2-yl]pyridine;2,6-Bis[(S)-4-phenyl-2-oxazolin-2-yl]pyridine;2,6-Bis[(S)-4-phenyloxazolin-2-yl]pyridine;(S-(R*,R*))-2,6-bis(4,5-dihydro-4-phenyl-2-oxazol;2,6-Bis[(4S)-4-phenyl-2-oxazolinyl]pyridine 98%;2,6-Bis[(4S)-phenyl-2-oxazolin-2-yl]pyridine,99%e.e.;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydrooxazol-2-yl]-2-pyridyl]-4,5-dihydrooxazole;2,6-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine;AKOS016842266;2,6-Bis((4S)-4-phenyl-2-oxazolin-2-yl)pyridine;B2220;Pyridine, 2,6-bis((4S)-4,5-dihydro-4-phenyl-2-oxazolyl)-;SCHEMBL918823;2,6-Bis(4S)(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine;J-010994;Ph-pybox, (S,S)-(-)-;MFCD01863586;2,6-Bis((S)-4-phenyl-2-oxazolin-2-yl)pyridine;Q27262764;5R62CXU58K;(S,S)-Phenyl-pybox;DTXSID60426601;2,6-Bis((4S)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine;(S,S)-2,6-Bis(4-phenyl-2-oxazolinyl)pyridine;174500-20-0;CS-W008090;2,6-bis[(4S)-phenyl-2-oxazoline-2-yl]pyridine;(S,S)-PH-PYBOX;J-005581;AC-22427;Ph-pybox, (S,S)-;Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-;A811647;2,6-Bis[(4S)-4-phenyl-2-oxazolinyl]pyridine, 98%;DS-3690;(S,S)-Ph-pybox [MI];2,6-bis[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine;C23H19N3O2;BP-12297;2,6-Bis[((4S)-Phenyl)-2-oxazolin-2-yl]pyridine;UNII-5R62CXU58K;HLHBIMJNCKZZQO-NHCUHLMSSA-N;AMY41348;DB-001890;

标识符

MDL：

MFCD01863586

InChIKey：

HLHBIMJNCKZZQO-NHCUHLMSSA-N

Inchi：

1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1

SMILES：

O1C(C2C=CC=C(C3=N[C@@H](C4C=CC=CC=4)CO3)N=2)=N[C@@H](C2C=CC=CC=2)C1

2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶(174500-20-0)物化性质

实验特性

LogP : 2.98900
PSA : 56.07000
水溶性 : 不溶
沸点 : 600.4°C at 760 mmHg
熔点 : 164.0 to 172.0 deg-C
闪点 : 316.9±31.5 °C
颜色与性状 : 无可用
溶解性 : 不溶于水
比旋光度 : -224 º (c=1, chloroform)
光学活性 : [α]20/D −224°, c = 1 in chloroform
密度 : 1.2800

计算特性

精确分子量 : 369.14800
氢键供体数量 : 0
氢键受体数量 : 5
可旋转化学键数量 : 4
同位素质量 : 369.147727
重原子数量 : 28
复杂度 : 543
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 4
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 56.1

2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶(174500-20-0)安全信息

符号： GHS07
WGK Germany： 3
安全术语： S26;S37/39
安全说明： S26-S36/37/39-S37/39
风险术语： R36/37/38
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H315,H319,H335
警示性声明：P261;P350+P351+P338
提示语：警告
储存条件： Inert atmosphere,Room Temperature
危险类别码： 36/37/38
信号词： Warning

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2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶(174500-20-0)上下游

2,6-吡啶二甲腈 2,6-氯甲酰吡啶吡啶-2,6-二羧酸 (S)-(+)-2-氨基-1-苯乙醇 2,6-Pyridinedicarboxamide, N,N'-bis[(1S)-2-hydroxy-1-phenylethyl]-

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2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶(174500-20-0)参考资料

Reaxys RN：

9506342

PubChem CID：

87565075

2,6-二[(4S)-4-苯基-2-恶唑啉基]吡啶(174500-20-0) MSDS

基础信息

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