261360-66-1 ((2E,5E)-2,5-双[（4- （二乙氨基）苯基）亚甲基]环戊酮,(2E,5E)-2,5-Bis[(4-(diethylamino)phenyl)methylene]cyclopentanone)

快速询单

结构式：

(2E,5E)-2,5-双[（4- （二乙氨基）苯基）亚甲基]环戊酮MOL文件

CAS号：

261360-66-1

中文名称：

(2E,5E)-2,5-双[（4- （二乙氨基）苯基）亚甲基]环戊酮

英文名称：

(2E,5E)-2,5-Bis[(4-(diethylamino)phenyl)methylene]cyclopentanone

分子式：

C₂₇H₃₄N₂O

分子量：

402.571667194366

(2E,5E)-2,5-双[（4- （二乙氨基）苯基）亚甲基]环戊酮(261360-66-1)名称与标识符

名称

中文别名：

(2E,5E)-2,5-双[(4 - (二乙氨基)苯基)亚甲基]环戊酮;(2E,5E)-2,5-双[（4- （二乙氨基）苯基）亚甲基]环戊酮;(2E,5E)-2,5-双[(4-(二乙氨基)苯基)亚甲基]环戊酮;

英文别名：

(2E,5E)-2,5-Bis[(4-(diethylamino)phenyl)methylene]cyclopentanone;2,5-bis[[4-(diethylamino)phenyl]methylidene]cyclopentan-1-one;Cyclopentanone,2,5-bis[[4-(diethylamino)phenyl]methylene]-, (2E,5E)-;Cyclopentanone,2,5-bis[[4-(diethylamino)phenyl]methylene]-,(2E,5E);MFCD06658953;2,5-di[(e)-1-(4-diethylaminophenyl)methylidene]-1-cyclopentanone;AKOS001494311;Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-, (2E,5E)-;SCHEMBL2847156;KKLBPVXKMBLCQX-BLVCXSLXSA-N;2,5-Bis(4-diethylaminobenzylidene)cyclopentanone (17);Cyclopentanone, 2,5-bis((4-(diethylamino)phenyl)methylene)-;CHEMBL1631818;BDBM111817;Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-;(2E,5E)-2,5-BIS({[4-(DIETHYLAMINO)PHENYL]METHYLIDENE})CYCLOPENTAN-1-ONE;38394-53-5;(2E,5E)-2,5-bis[[4-(diethylamino)phenyl]methylidene]cyclopentan-1-one;261360-66-1;

标识符

InChIKey：

KKLBPVXKMBLCQX-BLVCXSLXSA-N

Inchi：

1S/C27H34N2O/c1-5-28(6-2)25-15-9-21(10-16-25)19-23-13-14-24(27(23)30)20-22-11-17-26(18-12-22)29(7-3)8-4/h9-12,15-20H,5-8,13-14H2,1-4H3/b23-19+,24-20+

SMILES：

O=C1/C(=C/C2C=CC(=CC=2)N(CC)CC)/CC/C/1=C\C1C=CC(=CC=1)N(CC)CC

(2E,5E)-2,5-双[（4- （二乙氨基）苯基）亚甲基]环戊酮(261360-66-1)物化性质

实验特性

LogP : 6.20890
PSA : 23.55000
折射率 : 1.645
沸点 : 598.3°C at 760 mmHg
熔点 : 186-189 °C
闪点 : 250.3°C
密度 : 1.109

计算特性

精确分子量 : 402.26700
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 8
同位素质量 : 402.267114
重原子数量 : 30
复杂度 : 546
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 2
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） : 6.2
拓扑分子极性表面积 : 23.6

(2E,5E)-2,5-双[（4- （二乙氨基）苯基）亚甲基]环戊酮(261360-66-1)安全信息

(2E,5E)-2,5-双[（4- （二乙氨基）苯基）亚甲基]环戊酮(261360-66-1)推荐厂家更多厂家(2)

公司名称	手机号/电话	联系人	QQ	微信	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695		询单
上海依赫生物科技有限公司	17721395025 021-68882955	张经理	2423903095		询单

(2E,5E)-2,5-双[（4- （二乙氨基）苯基）亚甲基]环戊酮(261360-66-1) MSDS

基础信息

Name:	(2e 5e)-2 5-bis[(4-(diethylamino)phenyl)methylene]cyclopentanone Material Safety Data Sheet
Synonym:
CAS:	261360-66-1

Section 1 - Chemical Product ? MSDS Name:(2e 5e)-2 5-bis[(4-(diethylamino)phenyl)methylene]cyclopentanone Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
261360-66-1	(2E,5E)-2,5-Bis[(4-(diethylamino)pheny		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.

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# 261360-66-1: 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: Solid
Color: red
Odor: aromatic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 186 - 189 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: C27H34N2O
Molecular Weight: 402.58

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# 261360-66-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(2E,5E)-2,5-Bis[(4-(diethylamino)phenyl)methylene]cyclopentanone - 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# 261360-66-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 261360-66-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 261360-66-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

791780-06-8(3-(3,4-二氯苯氧基)吖丁啶) 791778-53-5(trans-4-[2-[4-(2,3-Dichlorophenyl)piperazin-1-yl]ethyl]cyclohexanamine) 79201-37-9(4-N-叔丁氧羰基-4-N-甲基氨基哌啶) 787564-37-8((3R)-3-fluoropiperidine;hydrochloride) 78784-70-0(3-CHLORO-6-(2-PYRIDINYLMETHYL)PYRIDAZINE) 78789-65-8(butyl 3-(trichlorostannyl)propanoate compound with 2,2'-bipyridine (1:1) (en)) 792913-82-7((8-甲基-1,4-二氧杂螺[4.5]癸烷-8-基)氨基甲酸叔丁酯) 79324-78-0(1-(3-溴-4-(甲基硫代)苯基)乙酮)

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